N-(4-bromophenyl)-2-methoxy-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-bromophenyl)-2-methoxy-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-bromophenyl)-2-methoxy-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-bromophenyl)-2-methoxy-5-[oxo-(3-oxo-1-piperazinyl)methyl]benzenesulfonamide IUPAC Name: N-(4-bromophenyl)-2-methoxy-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-bromophenyl)-5-(3-ketopiperazine-1-carbonyl)-2-methoxy-benzenesulfonamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2)S(=O)(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2)S(=O)(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O5S/c1-27-15-7-2-12(18(24)22-9-8-20-17(23)11-22)10-16(15)28(25,26)21-14-5-3-13(19)4-6-14/h2-7,10,21H,8-9,11H2,1H3,(H,20,23)