methyl (2S)-2-[2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[1-(benzenesulfonyl)-3-oxo-piperazin-2-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[1-(benzenesulfonyl)-3-oxo-2-piperazinyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1-besyl-3-keto-piperazin-2-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CC2C(=O)NCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2C(=O)NCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O6S/c1-31-22(28)18(14-16-8-4-2-5-9-16)24-20(26)15-19-21(27)23-12-13-25(19)32(29,30)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,23,27)(H,24,26)/t18-,19?/m0/s1