3-[[(3E)-3-[1-(3-methylbutyl)-2,4-bis(oxidanylidene)-1,8-naphthyridin-3-ylidene]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid

Systemtic Name: 3-[[(3E)-3-[1-(3-methylbutyl)-2,4-bis(oxidanylidene)-1,8-naphthyridin-3-ylidene]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid Openeye Name: 3-[[(3E)-3-(1-isopentyl-2,4-dioxo-1,8-naphthyridin-3-ylidene)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid CAS Name: 3-[[(3E)-3-[1-(3-methylbutyl)-2,4-dioxo-1,8-naphthyridin-3-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid IUPAC Name: 3-[[(3E)-3-[1-(3-methylbutyl)-2,4-dioxo-1,8-naphthyridin-3-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid Traditional Name: 3-[[(3E)-3-(1-isoamyl-2,4-diketo-1,8-naphthyridin-3-ylidene)-1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid Formula: C27H26N6O8S2 MolecularWeight: 626.66074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC=N2)C(=O)C(=C3NC4=C(C=C(C=C4)NS(=O)(=O)NC5=CC=CC(=C5)C(=O)O)S(=O)(=O)N3)C1=O

Isomeric SMILES

CC(C)CCN1C2=C(C=CC=N2)C(=O)/C(=C\3/NC4=C(C=C(C=C4)NS(=O)(=O)NC5=CC=CC(=C5)C(=O)O)S(=O)(=O)N3)/C1=O

InChI

InChI=1S/C27H26N6O8S2/c1-15(2)10-12-33-25-19(7-4-11-28-25)23(34)22(26(33)35)24-29-20-9-8-18(14-21(20)42(38,39)32-24)31-43(40,41)30-17-6-3-5-16(13-17)27(36)37/h3-9,11,13-15,29-32H,10,12H2,1-2H3,(H,36,37)/b24-22+