[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone

Systemtic Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Openeye Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone CAS Name: [(2R)-2-(4-methoxyphenyl)-1-azepanyl]-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methanone IUPAC Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Traditional Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H33N3O4S/c1-26-15-17-27(18-16-26)33(30,31)23-8-6-7-21(19-23)25(29)28-14-5-3-4-9-24(28)20-10-12-22(32-2)13-11-20/h6-8,10-13,19,24H,3-5,9,14-18H2,1-2H3/p+1/t24-/m1/s1