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

Systemtic Name: methyl 3-(ethylaminomethyl)-1-[4-methyl-2-(phenylsulfonyl)pentyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-4-methyl-pentyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-4-methylpentyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-4-methylpentyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-4-methyl-pentyl)-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4S/c1-5-26-15-20-16-27(24-12-11-19(14-23(20)24)25(28)31-4)17-22(13-18(2)3)32(29,30)21-9-7-6-8-10-21/h6-12,14,16,18,22,26H,5,13,15,17H2,1-4H3