N,N-diethyl-4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-methoxy-benzenesulfonamide CAS Name: N,N-diethyl-4-methoxy-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-methoxybenzenesulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-methoxy-benzenesulfonamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-4-26(5-2)31(28,29)20-11-12-22(30-3)21(17-20)23(27)25-15-13-24(14-16-25)18-19-9-7-6-8-10-19/h6-12,17H,4-5,13-16,18H2,1-3H3