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

Systemtic Name: tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-5-methoxy-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(diaminomethylenecarbamoyl)-5-methoxy-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-[(diaminomethylideneamino)-oxomethyl]-5-methoxy-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(diaminomethylidenecarbamoyl)-5-methoxy-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-(diaminomethylenecarbamoyl)-2-mesyl-5-methoxy-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C20H31N5O6S MolecularWeight: 469.55504

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H31N5O6S/c1-20(2,3)31-19(27)23-12-6-8-25(9-7-12)14-11-15(30-4)13(17(26)24-18(21)22)10-16(14)32(5,28)29/h10-12H,6-9H2,1-5H3,(H,23,27)(H4,21,22,24,26)