ethyl 4-[2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H25ClN4O7S MolecularWeight: 488.9424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C19H25ClN4O7S/c1-3-30-19(27)24-6-4-12(5-7-24)21-17(25)10-23(2)32(28,29)16-9-15-14(8-13(16)20)22-18(26)11-31-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,21,25)(H,22,26)