1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethyl)sulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethyl)sulfonyl-indole-2-carboxylic acid Openeye Name: 3-benzylsulfonyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethyl)sulfonyl-2-indolecarboxylic acid IUPAC Name: 3-benzylsulfonyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-benzylsulfonyl-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid Formula: C23H17Cl2NO4S MolecularWeight: 474.35638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H17Cl2NO4S/c24-18-11-10-16(12-19(18)25)13-26-20-9-5-4-8-17(20)22(21(26)23(27)28)31(29,30)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,27,28)