N-(1-cyclopropylcarbonylpiperidin-4-yl)-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-(1-cyclopropylcarbonylpiperidin-4-yl)-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C16H21N3O6S/c1-25-14-5-4-13(19(21)22)10-15(14)26(23,24)17-12-6-8-18(9-7-12)16(20)11-2-3-11/h4-5,10-12,17H,2-3,6-9H2,1H3