[cycloheptyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indol-2-yl]carbonyl-amino] methanesulfonate

Systemtic Name: [cycloheptyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indol-2-yl]carbonyl-amino] methanesulfonate Openeye Name: [cycloheptyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indole-2-carbonyl]amino] methanesulfonate CAS Name: methanesulfonic acid [cycloheptyl-[[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenylmethyl]-2-indolyl]-oxomethyl]amino] ester IUPAC Name: [cycloheptyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenylmethyl]indole-2-carbonyl]amino] methanesulfonate Traditional Name: methanesulfonic acid [cycloheptyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indole-2-carbonyl]amino] ester Formula: C34H41N3O5S MolecularWeight: 603.77144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N(C3CCCCCC3)OS(=O)(=O)C)C(C4=CC=CC=C4)C5=CC=C(C=C5)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N(C3CCCCCC3)OS(=O)(=O)C)C(C4=CC=CC=C4)C5=CC=C(C=C5)O

InChI

InChI=1S/C34H41N3O5S/c1-35(2)23-24-36-30-18-12-11-17-29(30)32(31(25-13-7-6-8-14-25)26-19-21-28(38)22-20-26)33(36)34(39)37(42-43(3,40)41)27-15-9-4-5-10-16-27/h6-8,11-14,17-22,27,31,38H,4-5,9-10,15-16,23-24H2,1-3H3