N-[(5-chloranylthiophen-2-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-prop-2-enyl-benzamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]-N-prop-2-enylbenzamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H20ClN3O4S2/c1-2-9-22(12-15-6-7-17(20)28-15)19(25)14-4-3-5-16(11-14)29(26,27)23-10-8-21-18(24)13-23/h2-7,11H,1,8-10,12-13H2,(H,21,24)