2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-(3-methylpiperidino)sulfonylphenyl]-5-nitro-benzenesulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O6S2/c1-14-4-3-11-21(13-14)30(27,28)18-9-6-16(7-10-18)20-29(25,26)19-12-17(22(23)24)8-5-15(19)2/h5-10,12,14,20H,3-4,11,13H2,1-2H3