N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]benzenesulfonamide CAS Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]benzenesulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S2/c1-14-12-17(22(23)24)13-19(15(14)2)30(27,28)21-10-8-16(9-11-21)20-29(25,26)18-6-4-3-5-7-18/h3-7,12-13,16,20H,8-11H2,1-2H3