N-(4-cyclopentylsulfanylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-(cyclopentylthio)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H25N3O4S2/c26-21-15-25(13-12-23-21)31(28,29)20-7-3-4-16(14-20)22(27)24-17-8-10-19(11-9-17)30-18-5-1-2-6-18/h3-4,7-11,14,18H,1-2,5-6,12-13,15H2,(H,23,26)(H,24,27)