[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O5S/c1-16(2)24-21(27)15-31-22(28)19-14-18(8-9-20(19)23)32(29,30)26-12-10-25(11-13-26)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,27)