ethyl 4-[4-[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[1-methyl-2-oxo-2-(2-phenylanilino)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[1-oxo-1-(2-phenylanilino)propan-2-yl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-keto-1-methyl-2-(2-phenylanilino)ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-3-36-28(33)23-13-15-24(16-14-23)37(34,35)31-19-17-30(18-20-31)21(2)27(32)29-26-12-8-7-11-25(26)22-9-5-4-6-10-22/h4-16,21H,3,17-20H2,1-2H3,(H,29,32)