ethyl 4-[3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3

InChI

InChI=1S/C20H27N3O7S/c1-4-29-20(26)23-7-5-22(6-8-23)19(25)10-14(3)31(27,28)17-11-16-15(9-13(17)2)21-18(24)12-30-16/h9,11,14H,4-8,10,12H2,1-3H3,(H,21,24)