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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(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=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

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

InChI

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