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

Systemtic Name: 4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(propylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(propylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-5-[[cyclopentyl(oxo)methyl]amino]-2-[(propylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(propylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-[(propylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C26H29ClN2O3S MolecularWeight: 485.03806

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=C(C2=C(N1CC3=CC=C(C=C3)C(=O)O)C=CC(=C2)NC(=O)C4CCCC4)Cl

Isomeric SMILES

CCCSCC1=C(C2=C(N1CC3=CC=C(C=C3)C(=O)O)C=CC(=C2)NC(=O)C4CCCC4)Cl

InChI

InChI=1S/C26H29ClN2O3S/c1-2-13-33-16-23-24(27)21-14-20(28-25(30)18-5-3-4-6-18)11-12-22(21)29(23)15-17-7-9-19(10-8-17)26(31)32/h7-12,14,18H,2-6,13,15-16H2,1H3,(H,28,30)(H,31,32)