N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-cyclohexyl-benzenesulfonamide

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-cyclohexyl-benzenesulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-4-cyclohexyl-benzenesulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-4-cyclohexylbenzenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-cyclohexylbenzenesulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-4-cyclohexyl-benzenesulfonamide Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H36N4O5S/c1-19-13-15-30(16-14-19)27(32)25(17-20-7-12-24(28)26(18-20)31(33)34)29-37(35,36)23-10-8-22(9-11-23)21-5-3-2-4-6-21/h7-12,18-19,21,25,29H,2-6,13-17,28H2,1H3