3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(N-tosylanilino)propionamide Formula: C26H31N4O4S+ MolecularWeight: 495.61374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-21-7-10-24(11-8-21)35(32,33)30(23-5-3-2-4-6-23)14-13-26(31)28-20-22-9-12-25(27-19-22)29-15-17-34-18-16-29/h2-12,19H,13-18,20H2,1H3,(H,28,31)/p+1