methyl 4-[[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-[(5-methyl-2-thienyl)sulfonyl]nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O5S2/c1-14-5-10-18(28-14)29(25,26)22-11-3-4-17(13-22)19(23)21-12-15-6-8-16(9-7-15)20(24)27-2/h5-10,17H,3-4,11-13H2,1-2H3,(H,21,23)