N-[5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]ethanamide

Systemtic Name: N-[5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]ethanamide Openeye Name: N-[5-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]acetamide CAS Name: N-[5-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-2-methoxyphenyl]acetamide IUPAC Name: N-[5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxyphenyl]acetamide Traditional Name: N-[5-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]acetamide Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H32N4O5S/c1-17(26)22-19-15-18(7-8-20(19)30-2)31(28,29)25-13-11-23(12-14-25)16-21(27)24-9-5-3-4-6-10-24/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,26)/p+1