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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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