N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]benzamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-[4-(3-methylpiperidino)sulfonylphenyl]benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SC(C)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SC(C)C

InChI

InChI=1S/C22H28N2O3S2/c1-16(2)28-21-9-5-4-8-20(21)22(25)23-18-10-12-19(13-11-18)29(26,27)24-14-6-7-17(3)15-24/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3,(H,23,25)