2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-ethoxypropyl)benzamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-ethoxypropyl)benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(3-ethoxypropyl)benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-(3-ethoxypropyl)benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-ethoxypropyl)benzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-(3-ethoxypropyl)benzamide Formula: C25H33BrN2O4S2 MolecularWeight: 569.57452

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CC(CC(C2)C)C)SC3=CC=C(C=C3)Br

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CC(CC(C2)C)C)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H33BrN2O4S2/c1-4-32-13-5-12-27-25(29)23-15-22(34(30,31)28-16-18(2)14-19(3)17-28)10-11-24(23)33-21-8-6-20(26)7-9-21/h6-11,15,18-19H,4-5,12-14,16-17H2,1-3H3,(H,27,29)