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

Systemtic Name: (4S)-4-(azepan-1-ylcarbonyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one Openeye Name: (4S)-4-(azepane-1-carbonyl)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]pyrrolidin-2-one CAS Name: (4S)-4-[1-azepanyl(oxo)methyl]-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(azepane-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one Traditional Name: (4S)-4-(azepane-1-carbonyl)-1-[4-(4-methylpiperidino)sulfonylphenyl]-2-pyrrolidone Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C[C@H](CC3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N3O4S/c1-18-10-14-25(15-11-18)31(29,30)21-8-6-20(7-9-21)26-17-19(16-22(26)27)23(28)24-12-4-2-3-5-13-24/h6-9,18-19H,2-5,10-17H2,1H3/t19-/m0/s1