4-[methylsulfonyl-(phenylmethyl)amino]-N-(pyridin-1-ium-4-ylmethyl)benzamide

Systemtic Name: 4-[methylsulfonyl-(phenylmethyl)amino]-N-(pyridin-1-ium-4-ylmethyl)benzamide Openeye Name: 4-[benzyl(methylsulfonyl)amino]-N-(pyridin-1-ium-4-ylmethyl)benzamide CAS Name: 4-[methylsulfonyl-(phenylmethyl)amino]-N-(4-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[benzyl(methylsulfonyl)amino]-N-(pyridin-1-ium-4-ylmethyl)benzamide Traditional Name: 4-[benzyl(mesyl)amino]-N-(pyridin-1-ium-4-ylmethyl)benzamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C21H21N3O3S/c1-28(26,27)24(16-18-5-3-2-4-6-18)20-9-7-19(8-10-20)21(25)23-15-17-11-13-22-14-12-17/h2-14H,15-16H2,1H3,(H,23,25)/p+1