methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]-2-methyl-propionic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H23N3O5S/c1-18(2,17(23)26-3)20-16(22)14-8-10-21(11-9-14)27(24,25)15-6-4-13(12-19)5-7-15/h4-7,14H,8-11H2,1-3H3,(H,20,22)