4-ethyl-1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-4-ium-2-one

Systemtic Name: 4-ethyl-1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-4-ium-2-one Openeye Name: 4-ethyl-1-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-4-ium-2-one CAS Name: 4-ethyl-1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-4-ium-2-one IUPAC Name: 4-ethyl-1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-1,4-diazepan-4-ium-2-one Traditional Name: 4-ethyl-1-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-4-mesyl-1,4-diazepan-4-ium-2-one Formula: C24H42N3O5S2+ MolecularWeight: 516.73738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCC[N+](CC1=O)(CC)S(=O)(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCC[N+](CC1=O)(CC)S(=O)(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C24H42N3O5S2/c1-6-25(21(3)19-22-11-13-23(14-12-22)33(4,29)30)15-8-9-16-26-17-10-18-27(7-2,20-24(26)28)34(5,31)32/h11-14,21H,6-10,15-20H2,1-5H3/q+1