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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

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