[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O6S/c1-16(27)25-10-12-26(13-11-25)33(30,31)20-8-4-18(5-9-20)22(29)32-15-21(28)24-14-17-2-6-19(23)7-3-17/h2-9H,10-15H2,1H3,(H,24,28)