N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-5-(dimethylamino)-1-naphthalenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide Formula: C27H33N5O5S MolecularWeight: 539.64642

Click to see the large picture

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=CC4=C3C=CC=C4N(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

InChI

InChI=1S/C27H33N5O5S/c1-18-12-14-31(15-13-18)27(33)23(16-19-10-11-22(28)25(17-19)32(34)35)29-38(36,37)26-9-5-6-20-21(26)7-4-8-24(20)30(2)3/h4-11,17-18,23,29H,12-16,28H2,1-3H3