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

Systemtic Name: tert-butyl N-[1-[3-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-(diaminomethylenecarbamoyl)-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[3-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(diaminomethylidenecarbamoyl)-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[3-(diaminomethylenecarbamoyl)-2-mesyl-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC=CC(=C2S(=O)(=O)C)C(=O)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC=CC(=C2S(=O)(=O)C)C(=O)N=C(N)N

InChI

InChI=1S/C19H29N5O5S/c1-19(2,3)29-18(26)22-12-8-10-24(11-9-12)14-7-5-6-13(15(14)30(4,27)28)16(25)23-17(20)21/h5-7,12H,8-11H2,1-4H3,(H,22,26)(H4,20,21,23,25)