methyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]ethanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]ethanoate Openeye Name: methyl 2-[1-(benzyloxymethyl)allyl-(5-bromo-2-methoxy-phenyl)sulfonyl-amino]acetate CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-methoxyphenyl)sulfonyl-(1-phenylmethoxybut-3-en-2-yl)amino]acetate Traditional Name: 2-[1-(benzoxymethyl)allyl-(5-bromo-2-methoxy-phenyl)sulfonyl-amino]acetic acid methyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC(=O)OC)C(COCC2=CC=CC=C2)C=C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC(=O)OC)C(COCC2=CC=CC=C2)C=C

InChI

InChI=1S/C21H24BrNO6S/c1-4-18(15-29-14-16-8-6-5-7-9-16)23(13-21(24)28-3)30(25,26)20-12-17(22)10-11-19(20)27-2/h4-12,18H,1,13-15H2,2-3H3