2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N3O3S/c27-23(25-14-4-5-15-25)19-24-13-6-16-26(18-17-24)30(28,29)22-11-9-21(10-12-22)20-7-2-1-3-8-20/h9-12,20H,1-8,13-19H2/p+1