N-[1-(4-ethoxyphenyl)carbonylpiperidin-4-yl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[1-(4-ethoxyphenyl)carbonylpiperidin-4-yl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[1-(4-ethoxybenzoyl)-4-piperidyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[1-[(4-ethoxyphenyl)-oxomethyl]-4-piperidinyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[1-(4-ethoxybenzoyl)-4-piperidyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-3-30-19-8-5-16(6-9-19)21(25)23-12-10-17(11-13-23)22-31(28,29)20-14-18(24(26)27)7-4-15(20)2/h4-9,14,17,22H,3,10-13H2,1-2H3