N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCCOC3=NC=NC(=C3)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCCOC3=NC=NC(=C3)N4CCCCCC4

InChI

InChI=1S/C20H25N5O3S2/c1-15-24-17-7-6-16(12-18(17)29-15)30(26,27)23-8-11-28-20-13-19(21-14-22-20)25-9-4-2-3-5-10-25/h6-7,12-14,23H,2-5,8-11H2,1H3