methyl (2S)-2-[[(Z)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(Z)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[(1Z)-1-(p-tolylsulfonylmethylene)pentyl]amino]propanoate CAS Name: (2S)-2-[[(Z)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(Z)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(Z)-1-butyl-2-tosyl-vinyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CS(=O)(=O)C1=CC=C(C=C1)C)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCC/C(=C/S(=O)(=O)C1=CC=C(C=C1)C)/N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C23H29NO4S/c1-4-5-11-20(17-29(26,27)21-14-12-18(2)13-15-21)24-22(23(25)28-3)16-19-9-7-6-8-10-19/h6-10,12-15,17,22,24H,4-5,11,16H2,1-3H3/b20-17-/t22-/m0/s1