ethyl 4-[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(phenylcarbamoyl)-3-thienyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[anilino(oxo)methyl]-3-thiophenyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[[5-(phenylcarbamoyl)-3-thienyl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3

InChI

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