methyl 1-(2-methylbutyl)-3-(phenylsulfonylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-methylbutyl)-3-(phenylsulfonylaminomethyl)indole-5-carboxylate Openeye Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-methylbutyl)indole-5-carboxylate CAS Name: 3-(benzenesulfonamidomethyl)-1-(2-methylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-methylbutyl)indole-5-carboxylate Traditional Name: 3-(benzenesulfonamidomethyl)-1-(2-methylbutyl)indole-5-carboxylic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-4-16(2)14-24-15-18(13-23-29(26,27)19-8-6-5-7-9-19)20-12-17(22(25)28-3)10-11-21(20)24/h5-12,15-16,23H,4,13-14H2,1-3H3