1-[(4-chlorophenyl)methyl]-4-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]-1,4-diazepane CAS Name: 1-[(4-chlorophenyl)methyl]-4-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane Traditional Name: 1-(4-chlorobenzyl)-4-[5-(4-methylpiperazino)sulfonyl-2-pyridyl]-1,4-diazepane Formula: C22H30ClN5O2S MolecularWeight: 464.0239

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H30ClN5O2S/c1-25-11-15-28(16-12-25)31(29,30)21-7-8-22(24-17-21)27-10-2-9-26(13-14-27)18-19-3-5-20(23)6-4-19/h3-8,17H,2,9-16,18H2,1H3