methyl 2-(2-chlorophenyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(1-mesylisonipecotoyl)piperazino]acetic acid methyl ester Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H28ClN3O5S/c1-29-20(26)18(16-5-3-4-6-17(16)21)22-11-13-23(14-12-22)19(25)15-7-9-24(10-8-15)30(2,27)28/h3-6,15,18H,7-14H2,1-2H3