tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-5-cyano-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-5-cyano-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[5-cyano-4-(diaminomethylenecarbamoyl)-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[5-cyano-4-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-cyano-4-(diaminomethylidenecarbamoyl)-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[5-cyano-4-(diaminomethylenecarbamoyl)-2-mesyl-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C20H28N6O5S MolecularWeight: 464.53852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)C#N)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)C#N)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C20H28N6O5S/c1-20(2,3)31-19(28)24-13-5-7-26(8-6-13)15-9-12(11-21)14(17(27)25-18(22)23)10-16(15)32(4,29)30/h9-10,13H,5-8H2,1-4H3,(H,24,28)(H4,22,23,25,27)