N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3,5-dimethyl-benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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