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

Systemtic Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylate Openeye Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylate CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyanilino)-oxomethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylate Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)carbamoyl]piperazine-2-carboxylic acid ethyl ester Formula: C25H29N3O7S MolecularWeight: 515.57866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3O7S/c1-4-6-17-35-21-11-13-22(14-12-21)36(31,32)28-16-15-27(18-23(28)24(29)34-5-2)25(30)26-19-7-9-20(33-3)10-8-19/h7-14,23H,5,15-18H2,1-3H3,(H,26,30)