4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]-N-methyl-3-nitro-benzenesulfonamide Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C20H31N5O5S/c1-15-10-16(2)13-24(12-15)20(26)14-22-6-8-23(9-7-22)18-5-4-17(31(29,30)21-3)11-19(18)25(27)28/h4-5,11,15-16,21H,6-10,12-14H2,1-3H3