methyl (2S)-2-[(4-cyanophenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-cyanophenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[allyl-(4-cyanophenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-cyanophenyl)sulfonyl-prop-2-enylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-cyanophenyl)sulfonyl-prop-2-enylamino]-3-methylbutanoate Traditional Name: (2S)-2-[allyl-(4-cyanophenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC=C)S(=O)(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-5-10-18(15(12(2)3)16(19)22-4)23(20,21)14-8-6-13(11-17)7-9-14/h5-9,12,15H,1,10H2,2-4H3/t15-/m0/s1