methyl (2S)-2-[(2-bromophenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-bromophenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[1-(benzyloxymethyl)allyl-(2-bromophenyl)sulfonyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-bromophenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-bromophenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[1-(benzoxymethyl)allyl-(2-bromophenyl)sulfonyl-amino]-3-phenyl-propionic acid methyl ester Formula: C27H28BrNO5S MolecularWeight: 558.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C(COCC2=CC=CC=C2)C=C)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N(C(COCC2=CC=CC=C2)C=C)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C27H28BrNO5S/c1-3-23(20-34-19-22-14-8-5-9-15-22)29(35(31,32)26-17-11-10-16-24(26)28)25(27(30)33-2)18-21-12-6-4-7-13-21/h3-17,23,25H,1,18-20H2,2H3/t23?,25-/m0/s1