tert-butyl 4-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(p-tolylsulfonylcarbamoylamino)propyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(tosylcarbamoylamino)propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCCN2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCCN2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N4O5S/c1-17-7-9-18(10-8-17)31(28,29)23-19(26)22-11-5-12-24-13-6-14-25(16-15-24)20(27)30-21(2,3)4/h7-10H,5-6,11-16H2,1-4H3,(H2,22,23,26)