3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C4=CC=CS4

InChI

InChI=1S/C21H26N4O4S2/c26-20-15-25(11-8-22-20)31(28,29)17-6-3-5-16(13-17)21(27)23-14-18(19-7-4-12-30-19)24-9-1-2-10-24/h3-7,12-13,18H,1-2,8-11,14-15H2,(H,22,26)(H,23,27)