methyl 1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: methyl 1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate Openeye Name: methyl 1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate CAS Name: 1,2-bis(propylsulfonyl)-3-pyrrolo[2,1-a]isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 1,2-bis(propylsulfonyl)pyrrol[2,1-a]isoquinoline-3-carboxylic acid methyl ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S2/c1-4-12-28(23,24)18-16-15-9-7-6-8-14(15)10-11-21(16)17(20(22)27-3)19(18)29(25,26)13-5-2/h6-11H,4-5,12-13H2,1-3H3