3-[[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]benzenesulfonamide

Systemtic Name: 3-[[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]benzenesulfonamide Openeye Name: 3-[[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]methyl]benzenesulfonamide CAS Name: 3-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]methyl]benzenesulfonamide IUPAC Name: 3-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]methyl]benzenesulfonamide Traditional Name: 3-[[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]methyl]benzenesulfonamide Formula: C19H24N4O6S2 MolecularWeight: 468.54706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6S2/c1-14-7-9-22(10-8-14)31(28,29)17-5-6-18(19(12-17)23(24)25)21-13-15-3-2-4-16(11-15)30(20,26)27/h2-6,11-12,14,21H,7-10,13H2,1H3,(H2,20,26,27)