3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propionamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H33N3O3S/c1-16-8-9-19(15-17(16)2)27(25,26)22-12-10-20(24)21-11-6-14-23-13-5-4-7-18(23)3/h8-9,15,18,22H,4-7,10-14H2,1-3H3,(H,21,24)/p+1/t18-/m0/s1