3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-(4-nosylpiperazine-1-carbonyl)isochroman-1-one Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S/c24-19(18-13-14-3-1-2-4-17(14)20(25)30-18)21-9-11-22(12-10-21)31(28,29)16-7-5-15(6-8-16)23(26)27/h1-8,18H,9-13H2