[(3S,4S)-4-[(4-methylphenyl)sulfonylcarbamoylamino]-5-phenyl-pent-1-en-3-yl] benzoate

Systemtic Name: [(3S,4S)-4-[(4-methylphenyl)sulfonylcarbamoylamino]-5-phenyl-pent-1-en-3-yl] benzoate Openeye Name: [(1S)-1-[(1S)-2-phenyl-1-(p-tolylsulfonylcarbamoylamino)ethyl]allyl] benzoate CAS Name: benzoic acid [(3S,4S)-4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-5-phenylpent-1-en-3-yl] ester IUPAC Name: [(3S,4S)-4-[(4-methylphenyl)sulfonylcarbamoylamino]-5-phenylpent-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S)-2-phenyl-1-(tosylcarbamoylamino)ethyl]allyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=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](CC2=CC=CC=C2)[C@H](C=C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-3-24(33-25(29)21-12-8-5-9-13-21)23(18-20-10-6-4-7-11-20)27-26(30)28-34(31,32)22-16-14-19(2)15-17-22/h3-17,23-24H,1,18H2,2H3,(H2,27,28,30)/t23-,24-/m0/s1