N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(4-methyl-3-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)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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