[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6S/c1-3-24-23(30)25-21(28)17(2)33-22(29)18-8-7-11-20(16-18)34(31,32)27-14-12-26(13-15-27)19-9-5-4-6-10-19/h4-11,16-17H,3,12-15H2,1-2H3,(H2,24,25,28,30)/t17-/m0/s1