N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(N-methylsulfonylanilino)methyl]benzamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-4-[(N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(N-methylsulfonylanilino)methyl]benzamide Traditional Name: 4-[(N-mesylanilino)methyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C)CC1

InChI

InChI=1S/C21H26N4O3S/c1-24-14-12-19(13-15-24)22-23-21(26)18-10-8-17(9-11-18)16-25(29(2,27)28)20-6-4-3-5-7-20/h3-11H,12-16H2,1-2H3,(H,23,26)/p+1