5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H30N4O4S/c1-21-11-13-22(14-12-21)20-19(24)17-15-16(7-8-18(17)27-2)28(25,26)23-9-5-3-4-6-10-23/h7-8,15H,3-6,9-14H2,1-2H3,(H,20,24)/p+1