2-[methylsulfonyl-(phenylmethyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-[methylsulfonyl-(phenylmethyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-[benzyl(methylsulfonyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-[methylsulfonyl-(phenylmethyl)amino]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 2-[benzyl(methylsulfonyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-[benzyl(mesyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-30(28,29)26(19-20-11-4-2-5-12-20)22-14-7-6-13-21(22)23(27)24-15-10-18-25-16-8-3-9-17-25/h2,4-7,11-14H,3,8-10,15-19H2,1H3,(H,24,27)/p+1