4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(phenethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(phenethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(phenethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-5-[[cyclopentyl(oxo)methyl]amino]-2-[(phenethylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(phenethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-[(phenethylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C31H31ClN2O3S MolecularWeight: 547.10744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSCCC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSCCC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H31ClN2O3S/c32-29-26-18-25(33-30(35)23-8-4-5-9-23)14-15-27(26)34(19-22-10-12-24(13-11-22)31(36)37)28(29)20-38-17-16-21-6-2-1-3-7-21/h1-3,6-7,10-15,18,23H,4-5,8-9,16-17,19-20H2,(H,33,35)(H,36,37)