methyl 4-[[1-(4-methoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethanoylamino)piperidin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-(4-methoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethanoylamino)piperidin-2-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(4-methoxyphenyl)sulfonyl-4-[[2-(2-thienyl)acetyl]amino]piperidine-2-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-methoxyphenyl)sulfonyl-4-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methoxyphenyl)sulfonyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-2-carbonyl]amino]butanoate Traditional Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-[[2-(2-thienyl)acetyl]amino]pipecoloyl]amino]butyric acid methyl ester Formula: C24H31N3O7S2 MolecularWeight: 537.64884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)NCCCC(=O)OC)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)NCCCC(=O)OC)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C24H31N3O7S2/c1-33-18-7-9-20(10-8-18)36(31,32)27-13-11-17(26-22(28)16-19-5-4-14-35-19)15-21(27)24(30)25-12-3-6-23(29)34-2/h4-5,7-10,14,17,21H,3,6,11-13,15-16H2,1-2H3,(H,25,30)(H,26,28)