N-[1-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-(3-bromo-4-ethoxy-5-methoxy-benzoyl)-4-piperidyl]benzenesulfonamide CAS Name: N-[1-[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-(3-bromo-4-ethoxy-5-methoxy-benzoyl)-4-piperidyl]benzenesulfonamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-3-29-20-18(22)13-15(14-19(20)28-2)21(25)24-11-9-16(10-12-24)23-30(26,27)17-7-5-4-6-8-17/h4-8,13-14,16,23H,3,9-12H2,1-2H3