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

Systemtic Name: tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-5-oxidanyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(diaminomethylenecarbamoyl)-5-hydroxy-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-[(diaminomethylideneamino)-oxomethyl]-5-hydroxy-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(diaminomethylidenecarbamoyl)-5-hydroxy-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-(diaminomethylenecarbamoyl)-5-hydroxy-2-mesyl-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C19H29N5O6S MolecularWeight: 455.52846

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H29N5O6S/c1-19(2,3)30-18(27)22-11-5-7-24(8-6-11)13-10-14(25)12(16(26)23-17(20)21)9-15(13)31(4,28)29/h9-11,25H,5-8H2,1-4H3,(H,22,27)(H4,20,21,23,26)