2-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[4-(3-oxo-1-piperazinyl)phenyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C23H28N4O4S/c1-17-5-10-20(32(30,31)27-12-3-2-4-13-27)15-21(17)23(29)25-18-6-8-19(9-7-18)26-14-11-24-22(28)16-26/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,28)(H,25,29)