3-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O3S/c1-2-27-16-18-28(19-17-27)24-13-6-5-12-23(24)26-25(30)21-10-9-11-22(20-21)33(31,32)29-14-7-3-4-8-15-29/h5-6,9-13,20H,2-4,7-8,14-19H2,1H3,(H,26,30)/p+1