2-methyl-5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[3-(1-piperidylsulfonyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-(1-piperidinylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-(3-piperidinosulfonylphenyl)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)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O6S2/c1-14-8-9-16(21(22)23)13-18(14)28(24,25)19-15-6-5-7-17(12-15)29(26,27)20-10-3-2-4-11-20/h5-9,12-13,19H,2-4,10-11H2,1H3