[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazino]-(3-pyridyl)methanone Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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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)C(=O)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S2/c27-22(19-6-5-11-23-18-19)24-14-16-26(17-15-24)33(30,31)21-9-7-20(8-10-21)32(28,29)25-12-3-1-2-4-13-25/h5-11,18H,1-4,12-17H2