tert-butyl N-[2-azanyl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoyl]carbamate

Systemtic Name: tert-butyl N-[2-azanyl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoyl]carbamate Openeye Name: tert-butyl N-[2-amino-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoyl]carbamate CAS Name: N-[2-amino-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-1-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-amino-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoyl]carbamate Traditional Name: N-[2-amino-3-(1-tosylimidazol-4-yl)propanoyl]carbamic acid tert-butyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C18H24N4O5S/c1-12-5-7-14(8-6-12)28(25,26)22-10-13(20-11-22)9-15(19)16(23)21-17(24)27-18(2,3)4/h5-8,10-11,15H,9,19H2,1-4H3,(H,21,23,24)