methyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-propanoate CAS Name: 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-prop-2-ynylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-prop-2-ynylamino]-3-phenylpropanoate Traditional Name: 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-propargyl-amino]-3-phenyl-propionic acid methyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(CC#C)C(CC2=CC=CC=C2)C(=O)OC)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(CC#C)C(CC2=CC=CC=C2)C(=O)OC)C)C)OC

InChI

InChI=1S/C23H27NO5S/c1-7-13-24(20(23(25)29-6)15-19-11-9-8-10-12-19)30(26,27)22-16(2)14-21(28-5)17(3)18(22)4/h1,8-12,14,20H,13,15H2,2-6H3