[1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-phenyl-methanone

Systemtic Name: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-phenyl-methanone Openeye Name: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-phenyl-methanone CAS Name: [1,2-bis(propylsulfonyl)-3-pyrrolo[2,1-a]isoquinolinyl]-phenylmethanone IUPAC Name: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-phenylmethanone Traditional Name: [1,2-bis(propylsulfonyl)pyrrol[2,1-a]isoquinolin-3-yl]-phenyl-methanone Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S2/c1-3-16-32(28,29)24-21-20-13-9-8-10-18(20)14-15-26(21)22(25(24)33(30,31)17-4-2)23(27)19-11-6-5-7-12-19/h5-15H,3-4,16-17H2,1-2H3