N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H29N3O4S/c1-17-4-5-19(16-18(17)2)22(26)23-10-11-24-12-14-25(15-13-24)30(27,28)21-8-6-20(29-3)7-9-21/h4-9,16H,10-15H2,1-3H3,(H,23,26)/p+1