1,2-bis(propylsulfonyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrrolo[2,1-a]isoquinoline-3-carboxamide

Systemtic Name: 1,2-bis(propylsulfonyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrrolo[2,1-a]isoquinoline-3-carboxamide Openeye Name: 1,2-bis(propylsulfonyl)-N-[(E)-4-pyridylmethyleneamino]pyrrolo[2,1-a]isoquinoline-3-carboxamide CAS Name: 1,2-bis(propylsulfonyl)-N-[(E)-pyridin-4-ylmethylideneamino]-3-pyrrolo[2,1-a]isoquinolinecarboxamide IUPAC Name: 1,2-bis(propylsulfonyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrrolo[2,1-a]isoquinoline-3-carboxamide Traditional Name: 1,2-bis(propylsulfonyl)-N-[(E)-4-pyridylmethyleneamino]pyrrol[2,1-a]isoquinoline-3-carboxamide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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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)NN=CC4=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O5S2/c1-3-15-35(31,32)23-21-20-8-6-5-7-19(20)11-14-29(21)22(24(23)36(33,34)16-4-2)25(30)28-27-17-18-9-12-26-13-10-18/h5-14,17H,3-4,15-16H2,1-2H3,(H,28,30)/b27-17+