6-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Formula: C17H24N3O4S+ MolecularWeight: 366.45516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C17H23N3O4S/c21-17-18-15-7-6-14(12-16(15)24-17)25(22,23)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,18,21)/p+1