N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C24H34N5O4S+ MolecularWeight: 488.62286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H33N5O4S/c1-33-22-10-9-20(34(31,32)29-12-6-2-3-7-13-29)18-21(22)26-24(30)19-27-14-16-28(17-15-27)23-8-4-5-11-25-23/h4-5,8-11,18H,2-3,6-7,12-17,19H2,1H3,(H,26,30)/p+1