4-methyl-N-(phenylmethyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-methyl-N-(phenylmethyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-benzyl-4-methyl-3-[4-(2-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-methyl-3-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-methyl-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-4-methyl-3-[4-(2-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H28N4O3S/c1-20-10-11-23(33(31,32)27-18-21-7-3-2-4-8-21)17-24(20)25(30)29-15-13-28(14-16-29)19-22-9-5-6-12-26-22/h2-12,17,27H,13-16,18-19H2,1H3