methyl (2S)-2-[3-(4-chlorophenyl)prop-2-ynyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[3-(4-chlorophenyl)prop-2-ynyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[3-(4-chlorophenyl)prop-2-ynyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[3-(4-chlorophenyl)prop-2-ynyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(4-chlorophenyl)prop-2-ynyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(4-chlorophenyl)prop-2-ynyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC#CC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC#CC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H24ClNO5S/c1-16(2)21(22(25)29-4)24(15-5-6-17-7-9-18(23)10-8-17)30(26,27)20-13-11-19(28-3)12-14-20/h7-14,16,21H,15H2,1-4H3/t21-/m0/s1