N-[(1S)-1-(2-methylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(o-tolyl)ethyl]benzamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(o-tolyl)ethyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O3S/c1-16-7-4-5-10-20(16)17(2)22-21(25)18-8-6-9-19(15-18)28(26,27)24-13-11-23(3)12-14-24/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1