N-(5-tert-butyl-2-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H31N3O4S/c1-23(2,3)18-9-10-21(30-5)20(16-18)24-22(27)17-7-6-8-19(15-17)31(28,29)26-13-11-25(4)12-14-26/h6-10,15-16H,11-14H2,1-5H3,(H,24,27)