tert-butyl 1-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenyl]-4-(methylamino)piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenyl]-4-(methylamino)piperidine-4-carboxylate Openeye Name: tert-butyl 1-[4-(diaminomethylenecarbamoyl)-2-methylsulfonyl-phenyl]-4-(methylamino)piperidine-4-carboxylate CAS Name: 1-[4-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonylphenyl]-4-(methylamino)-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-(diaminomethylidenecarbamoyl)-2-methylsulfonylphenyl]-4-(methylamino)piperidine-4-carboxylate Traditional Name: 1-[4-(diaminomethylenecarbamoyl)-2-mesyl-phenyl]-4-(methylamino)isonipecotic acid tert-butyl ester Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)NC

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)NC

InChI

InChI=1S/C20H31N5O5S/c1-19(2,3)30-17(27)20(23-4)8-10-25(11-9-20)14-7-6-13(16(26)24-18(21)22)12-15(14)31(5,28)29/h6-7,12,23H,8-11H2,1-5H3,(H4,21,22,24,26)