[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-23-10-12-24(13-11-23)30(27,28)19-9-5-8-18(14-19)21(26)29-16-20(25)22-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,22,25)