6-[4-(azetidin-1-yl)butoxy]-3-(4-bromophenyl)-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 6-[4-(azetidin-1-yl)butoxy]-3-(4-bromophenyl)-1,2-benzothiazole 1,1-dioxide Openeye Name: 6-[4-(azetidin-1-yl)butoxy]-3-(4-bromophenyl)-1,2-benzothiazole 1,1-dioxide CAS Name: 6-[4-(1-azetidinyl)butoxy]-3-(4-bromophenyl)-1,2-benzothiazole 1,1-dioxide IUPAC Name: 6-[4-(azetidin-1-yl)butoxy]-3-(4-bromophenyl)-1,2-benzothiazole 1,1-dioxide Traditional Name: 6-[4-(azetidin-1-yl)butoxy]-3-(4-bromophenyl)-1,2-benzothiazole 1,1-dioxide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)CCCCOC2=CC3=C(C=C2)C(=NS3(=O)=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(C1)CCCCOC2=CC3=C(C=C2)C(=NS3(=O)=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN2O3S/c21-16-6-4-15(5-7-16)20-18-9-8-17(14-19(18)27(24,25)22-20)26-13-2-1-10-23-11-3-12-23/h4-9,14H,1-3,10-13H2