N-tert-butyl-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide

Systemtic Name: N-tert-butyl-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide Openeye Name: N-tert-butyl-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide CAS Name: N-tert-butyl-3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzamide IUPAC Name: N-tert-butyl-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzamide Traditional Name: N-tert-butyl-3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-methoxy-benzamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S/c1-22(2,3)24-21(27)16-8-9-19(30-4)20(14-16)31(28,29)26-12-10-25(11-13-26)18-7-5-6-17(23)15-18/h5-9,14-15H,10-13H2,1-4H3,(H,24,27)