2-(4-bromophenyl)sulfanyl-N-(3-methoxypropyl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-(3-methoxypropyl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-(3-methoxypropyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-[(4-bromophenyl)thio]-N-(3-methoxypropyl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-(3-methoxypropyl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-[(4-bromophenyl)thio]-N-(3-methoxypropyl)-5-morpholinosulfonyl-benzamide Formula: C21H25BrN2O5S2 MolecularWeight: 529.4676

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)SC3=CC=C(C=C3)Br

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O5S2/c1-28-12-2-9-23-21(25)19-15-18(31(26,27)24-10-13-29-14-11-24)7-8-20(19)30-17-5-3-16(22)4-6-17/h3-8,15H,2,9-14H2,1H3,(H,23,25)