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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H28ClN3O5S/c1-3-11-25-22(28)17(2)32-23(29)20-16-19(9-10-21(20)24)33(30,31)27-14-12-26(13-15-27)18-7-5-4-6-8-18/h4-10,16-17H,3,11-15H2,1-2H3,(H,25,28)/t17-/m0/s1