ethyl 4-[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C24H31N3O5S/c1-4-19-8-6-7-18(3)23(19)25-22(28)17-26-13-15-27(16-14-26)33(30,31)21-11-9-20(10-12-21)24(29)32-5-2/h6-12H,4-5,13-17H2,1-3H3,(H,25,28)