N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-methylpiperidino)sulfonylphenyl]-3-nitro-benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-14-5-2-3-12-20(14)29(26,27)17-10-8-15(9-11-17)19-28(24,25)18-7-4-6-16(13-18)21(22)23/h4,6-11,13-14,19H,2-3,5,12H2,1H3