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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-pyridin-4-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-isonicotinoylpiperazino)methanone Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c28-22(25-15-17-26(18-16-25)23(29)20-9-11-24-12-10-20)19-5-7-21(8-6-19)32(30,31)27-13-3-1-2-4-14-27/h5-12H,1-4,13-18H2