3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]isocarbostyril Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H26N4O4S/c25-19-17-8-4-3-7-16(17)15-18(21-19)20(26)22-11-13-24(14-12-22)29(27,28)23-9-5-1-2-6-10-23/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,21,25)