4-[(E)-3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[(E)-3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: 4-[(E)-3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-3-keto-prop-1-enyl]-N-cyclopropyl-benzamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H22ClN3O4S2/c22-18-8-10-20(30-18)31(28,29)25-13-11-24(12-14-25)19(26)9-3-15-1-4-16(5-2-15)21(27)23-17-6-7-17/h1-5,8-10,17H,6-7,11-14H2,(H,23,27)/b9-3+