methyl 6-[2-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-[2-(benzenesulfonyl)ethylthio]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(2-besylethylthio)acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CSCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CSCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6S2/c1-30-21(27)16-8-9-18(22-14-16)20(26)24-11-5-10-23(24)19(25)15-31-12-13-32(28,29)17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3