tert-butyl N-[2-methylsulfonylethyl-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate

Systemtic Name: tert-butyl N-[2-methylsulfonylethyl-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate Openeye Name: tert-butyl N-[2-methylsulfonylethyl-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate CAS Name: N-[2-methylsulfonylethyl-[oxo-[[oxo-(phenethylamino)methyl]hydrazo]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methylsulfonylethyl-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate Traditional Name: N-[2-mesylethyl-[(phenethylcarbamoylamino)carbamoyl]amino]carbamic acid tert-butyl ester Formula: C18H29N5O6S MolecularWeight: 443.51776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CCS(=O)(=O)C)C(=O)NNC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NN(CCS(=O)(=O)C)C(=O)NNC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C18H29N5O6S/c1-18(2,3)29-17(26)22-23(12-13-30(4,27)28)16(25)21-20-15(24)19-11-10-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,21,25)(H,22,26)(H2,19,20,24)