6-[4-(2-methylpropanoyl)piperazin-1-yl]-N,N-bis(phenylmethyl)pyridine-3-sulfonamide

Systemtic Name: 6-[4-(2-methylpropanoyl)piperazin-1-yl]-N,N-bis(phenylmethyl)pyridine-3-sulfonamide Openeye Name: N,N-dibenzyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-3-sulfonamide CAS Name: 6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-N,N-bis(phenylmethyl)-3-pyridinesulfonamide IUPAC Name: N,N-dibenzyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-3-sulfonamide Traditional Name: N,N-dibenzyl-6-(4-isobutyrylpiperazino)pyridine-3-sulfonamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-22(2)27(32)30-17-15-29(16-18-30)26-14-13-25(19-28-26)35(33,34)31(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-14,19,22H,15-18,20-21H2,1-2H3