(phenylmethyl) 4-(4-nitrophenoxy)-2-[[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-(4-nitrophenoxy)-2-[[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: benzyl 2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-4-(4-nitrophenoxy)butanoate CAS Name: 2-[[[1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-(4-nitrophenoxy)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-4-(4-nitrophenoxy)butanoate Traditional Name: 2-[(1-besylprolyl)amino]-4-(4-nitrophenoxy)butyric acid benzyl ester Formula: C28H29N3O8S MolecularWeight: 567.61016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CCOC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CCOC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O8S/c32-27(26-12-7-18-30(26)40(36,37)24-10-5-2-6-11-24)29-25(28(33)39-20-21-8-3-1-4-9-21)17-19-38-23-15-13-22(14-16-23)31(34)35/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,29,32)