N-[3-[2-[1,1-bis(oxidanylidene)-2-propyl-1$l^{6},2,4-benzothiadiazin-3-yl]ethanoylamino]-4-chloranyl-phenyl]octanamide

Systemtic Name: N-[3-[2-[1,1-bis(oxidanylidene)-2-propyl-1$l^{6},2,4-benzothiadiazin-3-yl]ethanoylamino]-4-chloranyl-phenyl]octanamide Openeye Name: N-[4-chloro-3-[[2-(1,1-dioxo-2-propyl-1$l^{6},2,4-benzothiadiazin-3-yl)acetyl]amino]phenyl]octanamide CAS Name: N-[4-chloro-3-[[2-(1,1-dioxo-2-propyl-1$l^{6},2,4-benzothiadiazin-3-yl)-1-oxoethyl]amino]phenyl]octanamide IUPAC Name: N-[4-chloro-3-[[2-(1,1-dioxo-2-propyl-1$l^{6},2,4-benzothiadiazin-3-yl)acetyl]amino]phenyl]octanamide Traditional Name: N-[4-chloro-3-[[2-(1,1-diketo-2-propyl-1$l^{6},2,4-benzothiadiazin-3-yl)acetyl]amino]phenyl]caprylamide Formula: C26H33ClN4O4S MolecularWeight: 533.08262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CC2=NC3=CC=CC=C3S(=O)(=O)N2CCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CC2=NC3=CC=CC=C3S(=O)(=O)N2CCC

InChI

InChI=1S/C26H33ClN4O4S/c1-3-5-6-7-8-13-25(32)28-19-14-15-20(27)22(17-19)30-26(33)18-24-29-21-11-9-10-12-23(21)36(34,35)31(24)16-4-2/h9-12,14-15,17H,3-8,13,16,18H2,1-2H3,(H,28,32)(H,30,33)