ethyl N-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c1-3-32-21(27)22-16-6-4-5-15(13-16)20(26)24-11-9-23(10-12-24)18-8-7-17(33(2,30)31)14-19(18)25(28)29/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,27)