methyl 1-[2-(phenylmethyl)butyl]-3-(phenylsulfonylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(phenylmethyl)butyl]-3-(phenylsulfonylaminomethyl)indole-5-carboxylate Openeye Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-benzylbutyl)indole-5-carboxylate CAS Name: 3-(benzenesulfonamidomethyl)-1-[2-(phenylmethyl)butyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-benzylbutyl)indole-5-carboxylate Traditional Name: 3-(benzenesulfonamidomethyl)-1-(2-benzylbutyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4S/c1-3-21(16-22-10-6-4-7-11-22)19-30-20-24(18-29-35(32,33)25-12-8-5-9-13-25)26-17-23(28(31)34-2)14-15-27(26)30/h4-15,17,20-21,29H,3,16,18-19H2,1-2H3