ethyl 4-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-isopropyl-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c1-5-33-25(30)27-16-14-26(15-17-27)24(29)18-28(22-10-8-21(9-11-22)19(2)3)34(31,32)23-12-6-20(4)7-13-23/h6-13,19H,5,14-18H2,1-4H3