N-(3-chloranyl-4-methoxy-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C18H18ClN3O5S/c1-27-16-6-5-13(10-15(16)19)21-18(24)12-3-2-4-14(9-12)28(25,26)22-8-7-20-17(23)11-22/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)(H,21,24)