ethyl 4-[4-[2-[cyclopropylcarbonyl(methyl)amino]phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[cyclopropylcarbonyl(methyl)amino]phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[2-[[cyclopropyl(oxo)methyl]-methylamino]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3N(C)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3N(C)C(=O)C4CC4

InChI

InChI=1S/C25H29N3O6S/c1-3-34-25(31)19-10-12-20(13-11-19)35(32,33)28-16-14-27(15-17-28)24(30)21-6-4-5-7-22(21)26(2)23(29)18-8-9-18/h4-7,10-13,18H,3,8-9,14-17H2,1-2H3