N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-nitro-benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-14-9-10-15(29(26,27)20-11-5-2-6-12-20)13-16(14)19-28(24,25)18-8-4-3-7-17(18)21(22)23/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3