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

Systemtic Name: methyl 1-[4-methyl-2-(phenylsulfonyl)pentyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-4-methyl-pentyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-4-methylpentyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-4-methylpentyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-besyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4S/c1-21(2)16-26(36(33,34)25-12-8-5-9-13-25)20-31-19-23(18-30-24-10-6-4-7-11-24)27-17-22(29(32)35-3)14-15-28(27)31/h4-15,17,19,21,26,30H,16,18,20H2,1-3H3