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

Systemtic Name: tert-butyl N-[1-[5-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[5-(diaminomethylenecarbamoyl)-2-methylsulfonyl-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[5-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonylphenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-(diaminomethylidenecarbamoyl)-2-methylsulfonylphenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[5-(diaminomethylenecarbamoyl)-2-mesyl-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C19H29N5O5S MolecularWeight: 439.52906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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