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

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O7S2/c1-3-30-19-10-8-16(13-20(19)32(28,29)22-11-5-4-6-12-22)21-31(26,27)17-9-7-15(2)18(14-17)23(24)25/h7-10,13-14,21H,3-6,11-12H2,1-2H3