methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=CS3)C

InChI

InChI=1S/C22H28N2O5S2/c1-15-6-7-20(16(2)13-15)31(27,28)24-10-8-17(9-11-24)22(26)23-18(14-21(25)29-3)19-5-4-12-30-19/h4-7,12-13,17-18H,8-11,14H2,1-3H3,(H,23,26)