N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28FN3O3S/c1-16(2)21(17-7-9-19(23)10-8-17)24-22(27)18-5-4-6-20(15-18)30(28,29)26-13-11-25(3)12-14-26/h4-10,15-16,21H,11-14H2,1-3H3,(H,24,27)/p+1/t21-/m0/s1