N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-6,7-dimethoxy-naphthalene-2-sulfonamide

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-6,7-dimethoxy-naphthalene-2-sulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-6,7-dimethoxy-naphthalene-2-sulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-6,7-dimethoxy-2-naphthalenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dimethoxynaphthalene-2-sulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-6,7-dimethoxy-naphthalene-2-sulfonamide Formula: C27H32N4O7S MolecularWeight: 556.63058

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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=CC4=CC(=C(C=C4C=C3)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC(=C(C=C4C=C3)OC)OC

InChI

InChI=1S/C27H32N4O7S/c1-17-8-10-30(11-9-17)27(32)23(12-18-4-7-22(28)24(13-18)31(33)34)29-39(35,36)21-6-5-19-15-25(37-2)26(38-3)16-20(19)14-21/h4-7,13-17,23,29H,8-12,28H2,1-3H3