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

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H26N4O5S/c1-15(26)22-17-7-8-20(30-3)19(14-17)23-21(27)16-5-4-6-18(13-16)31(28,29)25-11-9-24(2)10-12-25/h4-8,13-14H,9-12H2,1-3H3,(H,22,26)(H,23,27)