N-(2-cyclopentylsulfanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

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