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

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-4-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-4-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-4-(3-nitrophenyl)benzenesulfonamide Formula: C27H29N5O7S MolecularWeight: 567.61346

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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)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O7S/c1-18-11-13-30(14-12-18)27(33)25(15-19-5-10-24(28)26(16-19)32(36)37)29-40(38,39)23-8-6-20(7-9-23)21-3-2-4-22(17-21)31(34)35/h2-10,16-18,25,29H,11-15,28H2,1H3