1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-[4-(3-methoxyphenyl)piperazino]sulfonylphenyl]sulfonylazepane Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O5S2/c1-31-21-8-6-7-20(19-21)24-15-17-26(18-16-24)33(29,30)23-11-9-22(10-12-23)32(27,28)25-13-4-2-3-5-14-25/h6-12,19H,2-5,13-18H2,1H3