1-(5-chloranylthiophen-2-yl)sulfonyl-3-[4-[6-fluoranyl-7-(methylamino)-4-oxidanylidene-2-(piperidin-1-ylmethyl)-2H-1,3-benzoxazin-3-yl]phenyl]urea

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-3-[4-[6-fluoranyl-7-(methylamino)-4-oxidanylidene-2-(piperidin-1-ylmethyl)-2H-1,3-benzoxazin-3-yl]phenyl]urea Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[6-fluoro-7-(methylamino)-4-oxo-2-(1-piperidylmethyl)-2H-1,3-benzoxazin-3-yl]phenyl]urea CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[4-[6-fluoro-7-(methylamino)-4-oxo-2-(1-piperidinylmethyl)-2H-1,3-benzoxazin-3-yl]phenyl]urea IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-4-oxo-2-(piperidin-1-ylmethyl)-2H-1,3-benzoxazin-3-yl]phenyl]urea Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[6-fluoro-4-keto-7-(methylamino)-2-(piperidinomethyl)-2H-1,3-benzoxazin-3-yl]phenyl]urea Formula: C26H27ClFN5O5S2 MolecularWeight: 608.104483

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)OC(N(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)CN5CCCCC5)F

Isomeric SMILES

CNC1=C(C=C2C(=C1)OC(N(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)CN5CCCCC5)F

InChI

InChI=1S/C26H27ClFN5O5S2/c1-29-20-14-21-18(13-19(20)28)25(34)33(23(38-21)15-32-11-3-2-4-12-32)17-7-5-16(6-8-17)30-26(35)31-40(36,37)24-10-9-22(27)39-24/h5-10,13-14,23,29H,2-4,11-12,15H2,1H3,(H2,30,31,35)