2-[[5-(2,6-dimethoxyphenyl)-1-[4-[2-dimethylaminoethyl(methyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[2-dimethylaminoethyl(methyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[8-[2-dimethylaminoethyl(methyl)sulfamoyl]tetralin-5-yl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[5-(2,6-dimethoxyphenyl)-1-[4-[2-dimethylaminoethyl(methyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[2-dimethylaminoethyl(methyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[8-[2-dimethylaminoethyl(methyl)sulfamoyl]tetralin-5-yl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C38H49N5O7S MolecularWeight: 719.88996

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)S(=O)(=O)C1=C2CCCCC2=C(C=C1)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC

Isomeric SMILES

CN(C)CCN(C)S(=O)(=O)C1=C2CCCCC2=C(C=C1)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC

InChI

InChI=1S/C38H49N5O7S/c1-41(2)15-16-42(3)51(47,48)34-14-13-30(27-9-6-7-10-28(27)34)43-31(35-32(49-4)11-8-12-33(35)50-5)22-29(40-43)36(44)39-38(37(45)46)25-18-23-17-24(20-25)21-26(38)19-23/h8,11-14,22-26H,6-7,9-10,15-21H2,1-5H3,(H,39,44)(H,45,46)