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

Systemtic Name: tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-5-methyl-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(diaminomethylenecarbamoyl)-5-methyl-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-[(diaminomethylideneamino)-oxomethyl]-5-methyl-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(diaminomethylidenecarbamoyl)-5-methyl-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-(diaminomethylenecarbamoyl)-2-mesyl-5-methyl-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N5O5S/c1-12-10-15(16(31(5,28)29)11-14(12)17(26)24-18(21)22)25-8-6-13(7-9-25)23-19(27)30-20(2,3)4/h10-11,13H,6-9H2,1-5H3,(H,23,27)(H4,21,22,24,26)