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

Systemtic Name: N-tert-butyl-4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]-3-nitro-benzenesulfonamide Formula: C23H37N5O5S MolecularWeight: 495.63538

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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(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O5S/c1-17-12-18(2)15-27(14-17)22(29)16-25-8-10-26(11-9-25)20-7-6-19(13-21(20)28(30)31)34(32,33)24-23(3,4)5/h6-7,13,17-18,24H,8-12,14-16H2,1-5H3