(3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[4-(4-methylpiperidino)sulfonylphenyl]pyrrolidine-3-carboxylate Formula: C17H21N2O5S- MolecularWeight: 365.42404

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-12-6-8-18(9-7-12)25(23,24)15-4-2-14(3-5-15)19-11-13(17(21)22)10-16(19)20/h2-5,12-13H,6-11H2,1H3,(H,21,22)/p-1/t13-/m0/s1