2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-N-[4-(3-oxo-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(3-oxopiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-[4-(3-ketopiperazino)phenyl]acetamide Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)N2CCNC(=O)C2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)N2CCNC(=O)C2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN4O4S2/c1-21(28(25,26)17-7-6-14(18)27-17)10-16(24)20-12-2-4-13(5-3-12)22-9-8-19-15(23)11-22/h2-7H,8-11H2,1H3,(H,19,23)(H,20,24)