methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(4-methylpiperidino)sulfonylbenzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-15-9-11-23(12-10-15)30(26,27)17-7-5-16(6-8-17)21(25)22-18(14-20(24)28-2)19-4-3-13-29-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)