N-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]benzenesulfonamide CAS Name: N-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O6S2/c1-14-7-8-16(21(22)23)13-18(14)29(26,27)20-11-9-15(10-12-20)19-28(24,25)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12H2,1H3