2-chloranyl-N-(2-methylbutan-2-yl)-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(2-methylbutan-2-yl)-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-(1,1-dimethylpropyl)-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-(2-methylbutan-2-yl)-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-(2-methylbutan-2-yl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-tert-amyl-2-chloro-5-(4-phenylpiperazino)sulfonyl-benzamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC(C)(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-4-22(2,3)24-21(27)19-16-18(10-11-20(19)23)30(28,29)26-14-12-25(13-15-26)17-8-6-5-7-9-17/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)