2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H37N4O5S+ MolecularWeight: 493.63938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H36N4O5S/c1-33-22-9-8-20(34(31,32)28-12-4-2-3-5-13-28)18-21(22)24(30)27-16-14-25(15-17-27)19-23(29)26-10-6-7-11-26/h8-9,18H,2-7,10-17,19H2,1H3/p+1