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

Systemtic Name: methyl 1-(2-methylpentyl)-3-(phenylsulfonylaminomethyl)indole-5-carboxylate Openeye Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-methylpentyl)indole-5-carboxylate CAS Name: 3-(benzenesulfonamidomethyl)-1-(2-methylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-methylpentyl)indole-5-carboxylate Traditional Name: 3-(benzenesulfonamidomethyl)-1-(2-methylpentyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-8-17(2)15-25-16-19(14-24-30(27,28)20-9-6-5-7-10-20)21-13-18(23(26)29-3)11-12-22(21)25/h5-7,9-13,16-17,24H,4,8,14-15H2,1-3H3