methyl 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoate

Systemtic Name: methyl 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoate Openeye Name: methyl 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoate CAS Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-4-hexynoic acid methyl ester IUPAC Name: methyl 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]hex-4-ynoate Traditional Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC#CCOC)C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(C(CC#CCOC)C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H25NO6S/c1-23(21(22(24)29-4)7-5-6-16-27-2)30(25,26)20-14-10-18(11-15-20)17-8-12-19(28-3)13-9-17/h8-15,21H,7,16H2,1-4H3