1-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-(4-benzylpiperazino)sulfonylphenyl]sulfonylazepane Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4S2/c27-31(28,25-14-6-1-2-7-15-25)22-10-12-23(13-11-22)32(29,30)26-18-16-24(17-19-26)20-21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2