1-[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[(4-cyclohexyl-1-piperazinyl)sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-(4-cyclohexylpiperazino)sulfonylphenyl]sulfonylazepane Formula: C22H35N3O4S2 MolecularWeight: 469.661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H35N3O4S2/c26-30(27,24-14-6-1-2-7-15-24)21-10-12-22(13-11-21)31(28,29)25-18-16-23(17-19-25)20-8-4-3-5-9-20/h10-13,20H,1-9,14-19H2