4-methyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)benzenesulfonamide Openeye Name: 4-methyl-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide Traditional Name: 4-methyl-N-(2-nitro-4-piperidinosulfonyl-phenyl)benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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