[4-(azepan-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H28N4O3S/c27-22(25-17-15-24(16-18-25)21-7-3-4-12-23-21)19-8-10-20(11-9-19)30(28,29)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-18H2