2-methyl-3-(phenylmethyl)-1-(4-phenylphenyl)carbonyl-indole-5-sulfonic acid

Systemtic Name: 2-methyl-3-(phenylmethyl)-1-(4-phenylphenyl)carbonyl-indole-5-sulfonic acid Openeye Name: 3-benzyl-2-methyl-1-(4-phenylbenzoyl)indole-5-sulfonic acid CAS Name: 2-methyl-1-[oxo-(4-phenylphenyl)methyl]-3-(phenylmethyl)-5-indolesulfonic acid IUPAC Name: 3-benzyl-2-methyl-1-(4-phenylbenzoyl)indole-5-sulfonic acid Traditional Name: 3-benzyl-2-methyl-1-(4-phenylbenzoyl)indole-5-sulfonic acid Formula: C29H23NO4S MolecularWeight: 481.56222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=CC(=C2)S(=O)(=O)O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=CC(=C2)S(=O)(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C29H23NO4S/c1-20-26(18-21-8-4-2-5-9-21)27-19-25(35(32,33)34)16-17-28(27)30(20)29(31)24-14-12-23(13-15-24)22-10-6-3-7-11-22/h2-17,19H,18H2,1H3,(H,32,33,34)