2-[[5-aminocarbonyl-2-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[[5-aminocarbonyl-2-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[2-amino-4-(tert-butoxycarbonylamino)-5-carbamoyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-amino-5-carbamoyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester IUPAC Name: 2-[2-amino-5-carbamoyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-amino-4-(tert-butoxycarbonylamino)-5-carbamoyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester Formula: C18H30N4O9S2 MolecularWeight: 510.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C(C=C1C(=O)N)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1C(=O)N)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N

InChI

InChI=1S/C18H30N4O9S2/c1-18(2,3)31-17(24)21-14-11-13(19)15(10-12(14)16(20)23)22(6-8-29-32(4,25)26)7-9-30-33(5,27)28/h10-11H,6-9,19H2,1-5H3,(H2,20,23)(H,21,24)