4-bromanyl-N-[1-(4-ethoxyphenyl)carbonylpiperidin-4-yl]-3-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[1-(4-ethoxyphenyl)carbonylpiperidin-4-yl]-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[1-(4-ethoxybenzoyl)-4-piperidyl]-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[1-[(4-ethoxyphenyl)-oxomethyl]-4-piperidinyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[1-(4-ethoxybenzoyl)-4-piperidyl]-3-methyl-benzenesulfonamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O4S/c1-3-28-18-6-4-16(5-7-18)21(25)24-12-10-17(11-13-24)23-29(26,27)19-8-9-20(22)15(2)14-19/h4-9,14,17,23H,3,10-13H2,1-2H3