N-[5-(4-methoxyphenyl)carbonyl-2-nitro-phenyl]piperidine-1-sulfonamide

Systemtic Name: N-[5-(4-methoxyphenyl)carbonyl-2-nitro-phenyl]piperidine-1-sulfonamide Openeye Name: N-[5-(4-methoxybenzoyl)-2-nitro-phenyl]piperidine-1-sulfonamide CAS Name: N-[5-[(4-methoxyphenyl)-oxomethyl]-2-nitrophenyl]-1-piperidinesulfonamide IUPAC Name: N-[5-(4-methoxybenzoyl)-2-nitrophenyl]piperidine-1-sulfonamide Traditional Name: N-(2-nitro-5-p-anisoyl-phenyl)piperidine-1-sulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21N3O6S/c1-28-16-8-5-14(6-9-16)19(23)15-7-10-18(22(24)25)17(13-15)20-29(26,27)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3