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

Systemtic Name: 4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(2-naphthylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-5-[[cyclopentyl(oxo)methyl]amino]-2-[(2-naphthalenylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-[(2-naphthylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C33H29ClN2O3S MolecularWeight: 569.11296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4=CC5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4=CC5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C33H29ClN2O3S/c34-31-28-18-26(35-32(37)23-6-2-3-7-23)14-16-29(28)36(19-21-9-11-24(12-10-21)33(38)39)30(31)20-40-27-15-13-22-5-1-4-8-25(22)17-27/h1,4-5,8-18,23H,2-3,6-7,19-20H2,(H,35,37)(H,38,39)