N-(3-chloranyl-4-cyano-phenyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chloro-4-cyano-phenyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(3-chloro-4-cyanophenyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chloro-4-cyanophenyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(3-chloro-4-cyano-phenyl)benzamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN4O4S/c1-14(26)24-7-9-25(10-8-24)30(28,29)18-4-2-3-15(11-18)20(27)23-17-6-5-16(13-22)19(21)12-17/h2-6,11-12H,7-10H2,1H3,(H,23,27)