tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-6-nitro-phenyl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-6-nitro-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(diaminomethylenecarbamoyl)-2-methylsulfonyl-6-nitro-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonyl-6-nitrophenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(diaminomethylidenecarbamoyl)-2-methylsulfonyl-6-nitrophenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-(diaminomethylenecarbamoyl)-2-mesyl-6-nitro-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C19H28N6O7S MolecularWeight: 484.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)C)C(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)C)C(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C19H28N6O7S/c1-19(2,3)32-18(27)22-12-5-7-24(8-6-12)15-13(25(28)29)9-11(16(26)23-17(20)21)10-14(15)33(4,30)31/h9-10,12H,5-8H2,1-4H3,(H,22,27)(H4,20,21,23,26)