N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]propanamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-benzylsulfonyl-N-[4-(3-methylpiperidino)sulfonylphenyl]propionamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S2/c1-18-6-5-14-24(16-18)31(28,29)21-11-9-20(10-12-21)23-22(25)13-15-30(26,27)17-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-17H2,1H3,(H,23,25)