1-[4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[[(3S)-3-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[(3S)-3-(azepane-1-carbonyl)piperidino]sulfonylphenyl]-2-pyrrolidone Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C22H31N3O4S/c26-21-8-6-16-25(21)19-9-11-20(12-10-19)30(28,29)24-15-5-7-18(17-24)22(27)23-13-3-1-2-4-14-23/h9-12,18H,1-8,13-17H2/t18-/m0/s1