methyl 3-(oxan-2-yloxycarbamoyl)-4-(5-phenylthiophen-2-yl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: methyl 3-(oxan-2-yloxycarbamoyl)-4-(5-phenylthiophen-2-yl)sulfonyl-piperazine-1-carboxylate Openeye Name: methyl 4-[(5-phenyl-2-thienyl)sulfonyl]-3-(tetrahydropyran-2-yloxycarbamoyl)piperazine-1-carboxylate CAS Name: 3-[(2-oxanyloxyamino)-oxomethyl]-4-[(5-phenyl-2-thiophenyl)sulfonyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxan-2-yloxycarbamoyl)-4-(5-phenylthiophen-2-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-[(5-phenyl-2-thienyl)sulfonyl]-3-(tetrahydropyran-2-yloxycarbamoyl)piperazine-1-carboxylic acid methyl ester Formula: C22H27N3O7S2 MolecularWeight: 509.59568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O7S2/c1-30-22(27)24-12-13-25(17(15-24)21(26)23-32-19-9-5-6-14-31-19)34(28,29)20-11-10-18(33-20)16-7-3-2-4-8-16/h2-4,7-8,10-11,17,19H,5-6,9,12-15H2,1H3,(H,23,26)