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

Systemtic Name: methyl 1-[4-methyl-2-(phenylsulfonyl)pentyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-4-methyl-pentyl]-3-[(benzylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-4-methylpentyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-4-methylpentyl]-3-[(benzylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-besyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H34N2O4S/c1-22(2)16-27(37(34,35)26-12-8-5-9-13-26)21-32-20-25(19-31-18-23-10-6-4-7-11-23)28-17-24(30(33)36-3)14-15-29(28)32/h4-15,17,20,22,27,31H,16,18-19,21H2,1-3H3