methyl 3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-15-8-9-16(30(26,27)23-10-4-3-5-11-23)13-17(15)21(25)22-18(14-20(24)28-2)19-7-6-12-29-19/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,22,25)