tert-butyl N-[(5-benzamidopentanoylamino)methyl]-N-[1H-imidazol-2-yl-(4-methylphenyl)sulfonyl-methyl]carbamate

Systemtic Name: tert-butyl N-[(5-benzamidopentanoylamino)methyl]-N-[1H-imidazol-2-yl-(4-methylphenyl)sulfonyl-methyl]carbamate Openeye Name: tert-butyl N-[(5-benzamidopentanoylamino)methyl]-N-[1H-imidazol-2-yl(p-tolylsulfonyl)methyl]carbamate CAS Name: N-[[(5-benzamido-1-oxopentyl)amino]methyl]-N-[1H-imidazol-2-yl-(4-methylphenyl)sulfonylmethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5-benzamidopentanoylamino)methyl]-N-[1H-imidazol-2-yl-(4-methylphenyl)sulfonylmethyl]carbamate Traditional Name: N-[(5-benzamidopentanoylamino)methyl]-N-[1H-imidazol-2-yl(tosyl)methyl]carbamic acid tert-butyl ester Formula: C29H37N5O6S MolecularWeight: 583.69898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=NC=CN2)N(CNC(=O)CCCCNC(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=NC=CN2)N(CNC(=O)CCCCNC(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N5O6S/c1-21-13-15-23(16-14-21)41(38,39)27(25-30-18-19-31-25)34(28(37)40-29(2,3)4)20-33-24(35)12-8-9-17-32-26(36)22-10-6-5-7-11-22/h5-7,10-11,13-16,18-19,27H,8-9,12,17,20H2,1-4H3,(H,30,31)(H,32,36)(H,33,35)