tert-butyl N-[[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[2-(4-methylsulfonyl-2-nitroanilino)ethylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O7S/c1-22(2,3)33-21(28)25-14-15-5-7-16(8-6-15)20(27)24-12-11-23-18-10-9-17(34(4,31)32)13-19(18)26(29)30/h5-10,13,23H,11-12,14H2,1-4H3,(H,24,27)(H,25,28)