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

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]naphthalene-2-sulfonamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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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=CC=C4C=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5S/c1-17-10-12-28(13-11-17)25(30)23(14-18-6-9-22(26)24(15-18)29(31)32)27-35(33,34)21-8-7-19-4-2-3-5-20(19)16-21/h2-9,15-17,23,27H,10-14,26H2,1H3