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

Systemtic Name: 4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(cyclopentylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(cyclopentylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-5-[[cyclopentyl(oxo)methyl]amino]-2-[(cyclopentylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(cyclopentylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-[(cyclopentylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C28H31ClN2O3S MolecularWeight: 511.07534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4CCCC4)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4CCCC4)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H31ClN2O3S/c29-26-23-15-21(30-27(32)19-5-1-2-6-19)13-14-24(23)31(25(26)17-35-22-7-3-4-8-22)16-18-9-11-20(12-10-18)28(33)34/h9-15,19,22H,1-8,16-17H2,(H,30,32)(H,33,34)