methyl 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]cycloheptanecarboxylate CAS Name: 1-[[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[1-(4-methoxyphenyl)sulfonylisonipecotoyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCCC3)C(=O)OC

InChI

InChI=1S/C22H32N2O6S/c1-29-18-7-9-19(10-8-18)31(27,28)24-15-11-17(12-16-24)20(25)23-22(21(26)30-2)13-5-3-4-6-14-22/h7-10,17H,3-6,11-16H2,1-2H3,(H,23,25)