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

Systemtic Name: methyl 2-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H21N3O5S2/c1-13-7-8-16(27-13)28(24,25)21-11-9-20(10-12-21)18(23)19-15-6-4-3-5-14(15)17(22)26-2/h3-8H,9-12H2,1-2H3,(H,19,23)