1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyanilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylic acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H25N3O7S/c1-3-4-15-33-19-9-11-20(12-10-19)34(30,31)26-14-13-25(16-21(26)22(27)28)23(29)24-17-5-7-18(32-2)8-6-17/h5-12,21H,13-16H2,1-2H3,(H,24,29)(H,27,28)