N-[3-[3-(methylsulfonylaminomethyl)piperidin-1-yl]carbonylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[3-(methylsulfonylaminomethyl)piperidin-1-yl]carbonylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[3-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[3-(methanesulfonamidomethyl)-1-piperidinyl]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[3-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[3-[3-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)NCC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-29(27,28)22-14-16-7-6-12-24(15-16)21(26)18-10-5-11-19(13-18)23-20(25)17-8-3-2-4-9-17/h5,10-11,13,16-17,22H,2-4,6-9,12,14-15H2,1H3,(H,23,25)