tert-butyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[[4-[(2-methyl-1-benzimidazolyl)methyl]phenyl]sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H31N3O4S/c1-20-29-24-12-8-9-13-26(24)31(20)19-22-14-16-23(17-15-22)36(33,34)30-25(27(32)35-28(2,3)4)18-21-10-6-5-7-11-21/h5-17,25,30H,18-19H2,1-4H3