tert-butyl N-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[N-(p-tolylsulfonyl)anilino]propyl]carbamate CAS Name: N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate Traditional Name: N-[3-(N-tosylanilino)propyl]carbamic acid tert-butyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-17-11-13-19(14-12-17)28(25,26)23(18-9-6-5-7-10-18)16-8-15-22-20(24)27-21(2,3)4/h5-7,9-14H,8,15-16H2,1-4H3,(H,22,24)