ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(2-methylphenyl)carbamoyl]piperazine-2-carboxylate

Systemtic Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(2-methylphenyl)carbamoyl]piperazine-2-carboxylate Openeye Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(o-tolylcarbamoyl)piperazine-2-carboxylate CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(2-methylanilino)-oxomethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(2-methylphenyl)carbamoyl]piperazine-2-carboxylate Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(o-tolylcarbamoyl)piperazine-2-carboxylic acid ethyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H29N3O6S/c1-4-6-17-34-20-11-13-21(14-12-20)35(31,32)28-16-15-27(18-23(28)24(29)33-5-2)25(30)26-22-10-8-7-9-19(22)3/h7-14,23H,5,15-18H2,1-3H3,(H,26,30)