2-[2-(aminomethyl)cyclohexyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(aminomethyl)cyclohexyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(aminomethyl)cyclohexyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(aminomethyl)cyclohexyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(aminomethyl)cyclohexyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(aminomethyl)cyclohexyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1CCC(C(C1)CN)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C14H18N2O3S/c15-9-10-5-1-3-7-12(10)16-14(17)11-6-2-4-8-13(11)20(16,18)19/h2,4,6,8,10,12H,1,3,5,7,9,15H2