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

Systemtic Name: methyl 2-[4-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-[2-(N-methylanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-[2-(N-methylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[2-keto-2-(N-methylanilino)ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-22(17-8-4-3-5-9-17)20(25)16-23-12-14-24(15-13-23)30(27,28)19-11-7-6-10-18(19)21(26)29-2/h3-11H,12-16H2,1-2H3