N-(1-chloranylisoquinolin-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(1-chloranylisoquinolin-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(1-chloro-6-isoquinolyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(1-chloro-6-isoquinolinyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(1-chloroisoquinolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(1-chloro-6-isoquinolyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H18ClN3O4S2 MolecularWeight: 451.94692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=NC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=NC=C4)Cl

InChI

InChI=1S/C19H18ClN3O4S2/c20-19-18-8-3-15(13-14(18)9-10-21-19)22-28(24,25)16-4-6-17(7-5-16)29(26,27)23-11-1-2-12-23/h3-10,13,22H,1-2,11-12H2