3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-(4-p-phenetylsulfonylpiperazine-1-carbonyl)isocarbostyril Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H23N3O5S/c1-2-30-17-7-9-18(10-8-17)31(28,29)25-13-11-24(12-14-25)22(27)20-15-16-5-3-4-6-19(16)21(26)23-20/h3-10,15H,2,11-14H2,1H3,(H,23,26)