ethyl-[1,1,5-trimethyl-2-[(4-methylsulfonyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)amino]-4-oxidanylidene-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid

Systemtic Name: ethyl-[1,1,5-trimethyl-2-[(4-methylsulfonyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)amino]-4-oxidanylidene-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Openeye Name: ethyl-[1,1,5-trimethyl-2-[[3-methylsulfonyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-4-oxo-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid CAS Name: ethyl-[1,1,5-trimethyl-2-[[4-methylsulfonyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]amino]-4-oxo-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid IUPAC Name: ethyl-[1,1,5-trimethyl-2-[(4-methylsulfonyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)amino]-4-oxo-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Traditional Name: ethyl-[4-keto-2-[[3-mesyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-1,1,5-trimethyl-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Formula: C23H35N4O7S+ MolecularWeight: 511.6116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(CCS(=O)(=O)C)C(=O)N3CCCC3)(C)C)C)C(=O)O

Isomeric SMILES

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(CCS(=O)(=O)C)C(=O)N3CCCC3)(C)C)C)C(=O)O

InChI

InChI=1S/C23H34N4O7S/c1-6-26(23(30)31)17-9-10-18-19(15(17)2)21(29)34-22(27(18,3)4)24-16(11-14-35(5,32)33)20(28)25-12-7-8-13-25/h9-10,16,22,24H,6-8,11-14H2,1-5H3/p+1