4-[5-(ethylcarbamoyl)-2-methyl-thiophen-3-yl]sulfonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[5-(ethylcarbamoyl)-2-methyl-thiophen-3-yl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[[5-(ethylcarbamoyl)-2-methyl-3-thienyl]sulfonyl]piperazine-1-carboxylic acid CAS Name: 4-[[5-(ethylcarbamoyl)-2-methyl-3-thiophenyl]sulfonyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-[[5-(ethylcarbamoyl)-2-methyl-3-thienyl]sulfonyl]piperazine-1-carboxylic acid Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C(=O)O

Isomeric SMILES

CCNC(=O)C1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C13H19N3O5S2/c1-3-14-12(17)10-8-11(9(2)22-10)23(20,21)16-6-4-15(5-7-16)13(18)19/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19)