methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoate CAS Name: 3-[[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfamoyl]benzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoic acid methyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O6S2/c1-16-10-11-18(15-20(16)31(27,28)23-12-5-3-4-6-13-23)22-30(25,26)19-9-7-8-17(14-19)21(24)29-2/h7-11,14-15,22H,3-6,12-13H2,1-2H3