methyl (2S)-3-naphthalen-2-yl-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]propanoate

Systemtic Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]propanoate Openeye Name: methyl (2S)-2-[(3S)-3-allyl-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoate CAS Name: (2S)-3-(2-naphthalenyl)-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enyl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enylpiperazin-1-yl]propanoate Traditional Name: (2S)-2-[(3S)-3-allyl-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C27H27N3O7S MolecularWeight: 537.58418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3=O)CC=C)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N3CCN([C@H](C3=O)CC=C)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O7S/c1-3-8-23-26(31)28(15-16-29(23)38(35,36)25-12-7-6-11-22(25)30(33)34)24(27(32)37-2)18-19-13-14-20-9-4-5-10-21(20)17-19/h3-7,9-14,17,23-24H,1,8,15-16,18H2,2H3/t23-,24-/m0/s1