tert-butyl N-[1-[5-[bis(azanyl)methylidenecarbamoyl]-2-methyl-3-methylsulfonyl-phenyl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[5-[bis(azanyl)methylidenecarbamoyl]-2-methyl-3-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[5-(diaminomethylenecarbamoyl)-2-methyl-3-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[5-[(diaminomethylideneamino)-oxomethyl]-2-methyl-3-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-(diaminomethylidenecarbamoyl)-2-methyl-3-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[5-(diaminomethylenecarbamoyl)-3-mesyl-2-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=C(C=C(C=C1S(=O)(=O)C)C(=O)N=C(N)N)N2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C)C(=O)N=C(N)N)N2CCC(CC2)NC(=O)OC(C)(C)C

InChI

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