2-(6-azanylhexyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(6-azanylhexyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(6-aminohexyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(6-aminohexyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(6-aminohexyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(6-aminohexyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCCCN

InChI

InChI=1S/C13H18N2O3S/c14-9-5-1-2-6-10-15-13(16)11-7-3-4-8-12(11)19(15,17)18/h3-4,7-8H,1-2,5-6,9-10,14H2