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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-14(19(22)25)29-20(26)17-13-16(7-8-18(17)21)30(27,28)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H2,22,25)/t14-/m0/s1