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

Systemtic Name: tert-butyl 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]propanoate Openeye Name: tert-butyl 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]propanoate CAS Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]propanoate Traditional Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]propionic acid tert-butyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4S/c1-15(21(26)29-22(3,4)5)24-30(27,28)18-12-10-17(11-13-18)14-25-16(2)23-19-8-6-7-9-20(19)25/h6-13,15-16,23-24H,14H2,1-5H3