tert-butyl 4-[4-[(4-methylphenyl)sulfonylamino]-3-(methylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-methylphenyl)sulfonylamino]-3-(methylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(methanesulfonamido)-4-(p-tolylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(methanesulfonamido)-4-[(4-methylphenyl)sulfonylamino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(methanesulfonamido)-4-[(4-methylphenyl)sulfonylamino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(methanesulfonamido)-4-(tosylamino)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H34N4O6S2 MolecularWeight: 538.67996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCN(CC3)C(=O)OC(C)(C)C)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCN(CC3)C(=O)OC(C)(C)C)NS(=O)(=O)C

InChI

InChI=1S/C24H34N4O6S2/c1-18-7-10-20(11-8-18)36(32,33)26-21-12-9-19(17-22(21)25-35(5,30)31)27-13-6-14-28(16-15-27)23(29)34-24(2,3)4/h7-12,17,25-26H,6,13-16H2,1-5H3