methyl 3-(methylaminomethyl)-1-[4-methyl-2-(phenylsulfonyl)pentyl]indole-5-carboxylate

Systemtic Name: methyl 3-(methylaminomethyl)-1-[4-methyl-2-(phenylsulfonyl)pentyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-4-methyl-pentyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-4-methylpentyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-4-methylpentyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-4-methyl-pentyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4S/c1-17(2)12-21(31(28,29)20-8-6-5-7-9-20)16-26-15-19(14-25-3)22-13-18(24(27)30-4)10-11-23(22)26/h5-11,13,15,17,21,25H,12,14,16H2,1-4H3