N-[2-[[1-(2-methylpyrrolidin-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-3,1-benzoxazin-6-yl]-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: N-[2-[[1-(2-methylpyrrolidin-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-3,1-benzoxazin-6-yl]-2-pyrrolidin-1-yl-ethanamide Openeye Name: N-[2-[[1-(2-methylpyrrolidine-1-carbonyl)-3-methylsulfonyl-propyl]amino]-4-oxo-3,1-benzoxazin-6-yl]-2-pyrrolidin-1-yl-acetamide CAS Name: N-[2-[[1-(2-methyl-1-pyrrolidinyl)-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-oxo-3,1-benzoxazin-6-yl]-2-(1-pyrrolidinyl)acetamide IUPAC Name: N-[2-[[1-(2-methylpyrrolidin-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-oxo-3,1-benzoxazin-6-yl]-2-pyrrolidin-1-ylacetamide Traditional Name: N-[4-keto-2-[[3-mesyl-1-(2-methylpyrrolidine-1-carbonyl)propyl]amino]-3,1-benzoxazin-6-yl]-2-pyrrolidino-acetamide Formula: C24H33N5O6S MolecularWeight: 519.61372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C(=O)C(CCS(=O)(=O)C)NC2=NC3=C(C=C(C=C3)NC(=O)CN4CCCC4)C(=O)O2

Isomeric SMILES

CC1CCCN1C(=O)C(CCS(=O)(=O)C)NC2=NC3=C(C=C(C=C3)NC(=O)CN4CCCC4)C(=O)O2

InChI

InChI=1S/C24H33N5O6S/c1-16-6-5-12-29(16)22(31)20(9-13-36(2,33)34)27-24-26-19-8-7-17(14-18(19)23(32)35-24)25-21(30)15-28-10-3-4-11-28/h7-8,14,16,20H,3-6,9-13,15H2,1-2H3,(H,25,30)(H,26,27)