(phenylmethyl) 4-imidazol-1-ylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-imidazol-1-ylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-4-imidazol-1-ylsulfonyl-butanoate CAS Name: 4-(1-imidazolylsulfonyl)-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-imidazol-1-ylsulfonyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-imidazol-1-ylsulfonyl-butyric acid benzyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)N2C=CN=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)N2C=CN=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S/c26-21(30-15-18-7-3-1-4-8-18)20(11-14-32(28,29)25-13-12-23-17-25)24-22(27)31-16-19-9-5-2-6-10-19/h1-10,12-13,17,20H,11,14-16H2,(H,24,27)