6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diisopropyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N,N-di(propan-2-yl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-N,N-diisopropyl-pyridin-1-ium-3-sulfonamide Formula: C23H35N4O4S2+ MolecularWeight: 495.6784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N(C(C)C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N(C(C)C)C(C)C)C

InChI

InChI=1S/C23H34N4O4S2/c1-17(2)27(18(3)4)33(30,31)22-9-10-23(24-16-22)25-11-13-26(14-12-25)32(28,29)21-8-7-19(5)20(6)15-21/h7-10,15-18H,11-14H2,1-6H3/p+1