(phenylmethyl) 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl 3-phenyl-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-[(1-tosylprolyl)amino]propionic acid benzyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c1-21-14-16-24(17-15-21)36(33,34)30-18-8-13-26(30)27(31)29-25(19-22-9-4-2-5-10-22)28(32)35-20-23-11-6-3-7-12-23/h2-7,9-12,14-17,25-26H,8,13,18-20H2,1H3,(H,29,31)