methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-ynylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-nitrophenyl)sulfonyl-propargyl-amino]-3-phenyl-propionic acid methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(CC#C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N(CC#C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S/c1-3-13-20(17(19(22)27-2)14-15-9-5-4-6-10-15)28(25,26)18-12-8-7-11-16(18)21(23)24/h1,4-12,17H,13-14H2,2H3/t17-/m0/s1