[(1S,2S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-but-3-en-2-yl] benzoate

Systemtic Name: [(1S,2S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-but-3-en-2-yl] benzoate Openeye Name: [(1S)-1-[(S)-phenyl-(p-tolylsulfonylcarbamoylamino)methyl]allyl] benzoate CAS Name: benzoic acid [(1S,2S)-1-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-phenylbut-3-en-2-yl] ester IUPAC Name: [(1S,2S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylbut-3-en-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(S)-phenyl-(tosylcarbamoylamino)methyl]allyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C2=CC=CC=C2)C(C=C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H](C2=CC=CC=C2)[C@H](C=C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O5S/c1-3-22(32-24(28)20-12-8-5-9-13-20)23(19-10-6-4-7-11-19)26-25(29)27-33(30,31)21-16-14-18(2)15-17-21/h3-17,22-23H,1H2,2H3,(H2,26,27,29)/t22-,23-/m0/s1