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

Systemtic Name: tert-butyl N-[1-[4-[bis(azanyl)methylidenecarbamoyl]-5-ethyl-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(diaminomethylenecarbamoyl)-5-ethyl-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-[(diaminomethylideneamino)-oxomethyl]-5-ethyl-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(diaminomethylidenecarbamoyl)-5-ethyl-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-(diaminomethylenecarbamoyl)-5-ethyl-2-mesyl-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N5O5S/c1-6-13-11-16(17(32(5,29)30)12-15(13)18(27)25-19(22)23)26-9-7-14(8-10-26)24-20(28)31-21(2,3)4/h11-12,14H,6-10H2,1-5H3,(H,24,28)(H4,22,23,25,27)