4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]benzamide IUPAC Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-17-6-7-19(3)22(15-17)30(28,29)25-21-10-8-20(9-11-21)23(27)24-12-14-26-13-4-5-18(2)16-26/h6-11,15,18,25H,4-5,12-14,16H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1