N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(4-methylpiperazino)sulfonyl-N-[3-(pivaloylamino)phenyl]benzamide Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-23(2,3)22(29)25-19-9-6-8-18(16-19)24-21(28)17-7-5-10-20(15-17)32(30,31)27-13-11-26(4)12-14-27/h5-10,15-16H,11-14H2,1-4H3,(H,24,28)(H,25,29)