tert-butyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-tosyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O4S/c1-14-6-8-15(9-7-14)24(21,22)19-11-5-10-18(12-13-19)16(20)23-17(2,3)4/h6-9H,5,10-13H2,1-4H3