N-[1-(5-chloranylthiophen-2-yl)ethyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(5-chloranylthiophen-2-yl)ethyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[1-(5-chloro-2-thienyl)ethyl]-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[1-(5-chloro-2-thiophenyl)ethyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[1-(5-chloro-2-thienyl)ethyl]-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C17H18ClN3O4S2 MolecularWeight: 427.92552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)Cl)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC(C1=CC=C(S1)Cl)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H18ClN3O4S2/c1-11(14-6-7-15(18)26-14)20-17(23)12-2-4-13(5-3-12)27(24,25)21-9-8-19-16(22)10-21/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23)