tert-butyl-[2-[[1-(dimethylamino)-4-methylsulfonyl-butan-2-yl]amino]-5-methyl-4-oxidanylidene-3,1-benzoxazin-6-yl]carbamic acid

Systemtic Name: tert-butyl-[2-[[1-(dimethylamino)-4-methylsulfonyl-butan-2-yl]amino]-5-methyl-4-oxidanylidene-3,1-benzoxazin-6-yl]carbamic acid Openeye Name: tert-butyl-[2-[[1-(dimethylaminomethyl)-3-methylsulfonyl-propyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamic acid CAS Name: tert-butyl-[2-[[1-(dimethylamino)-4-methylsulfonylbutan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamic acid IUPAC Name: tert-butyl-[2-[[1-(dimethylamino)-4-methylsulfonylbutan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamic acid Traditional Name: tert-butyl-[2-[[1-(dimethylaminomethyl)-3-mesyl-propyl]amino]-4-keto-5-methyl-3,1-benzoxazin-6-yl]carbamic acid Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCS(=O)(=O)C)CN(C)C)N(C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCS(=O)(=O)C)CN(C)C)N(C(=O)O)C(C)(C)C

InChI

InChI=1S/C21H32N4O6S/c1-13-16(25(20(27)28)21(2,3)4)9-8-15-17(13)18(26)31-19(23-15)22-14(12-24(5)6)10-11-32(7,29)30/h8-9,14H,10-12H2,1-7H3,(H,22,23)(H,27,28)