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

Systemtic Name: 4-[[4-acetamido-3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-acetamido-3-chloro-2-(2-naphthylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[4-acetamido-3-chloro-2-[(2-naphthalenylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[4-acetamido-3-chloro-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-acetamido-3-chloro-2-[(2-naphthylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C29H23ClN2O3S MolecularWeight: 515.02252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C(=C(N2CC3=CC=C(C=C3)C(=O)O)CSC4=CC5=CC=CC=C5C=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C(=C(N2CC3=CC=C(C=C3)C(=O)O)CSC4=CC5=CC=CC=C5C=C4)Cl

InChI

InChI=1S/C29H23ClN2O3S/c1-18(33)31-24-7-4-8-25-27(24)28(30)26(32(25)16-19-9-11-21(12-10-19)29(34)35)17-36-23-14-13-20-5-2-3-6-22(20)15-23/h2-15H,16-17H2,1H3,(H,31,33)(H,34,35)