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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(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=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O3S/c1-2-27-17-19-28(20-18-27)23-11-9-22(10-12-23)26-25(30)21-7-13-24(14-8-21)33(31,32)29-15-5-3-4-6-16-29/h7-14H,2-6,15-20H2,1H3,(H,26,30)/p+1