N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]butane-1-sulfonamide

Systemtic Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]butane-1-sulfonamide Openeye Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl]ethyl]butane-1-sulfonamide CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl]ethyl]-1-butanesulfonamide IUPAC Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl]ethyl]butane-1-sulfonamide Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-2-isoquinolyl]ethyl]butane-1-sulfonamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CN(C)C

Isomeric SMILES

CCCCS(=O)(=O)NCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CN(C)C

InChI

InChI=1S/C25H33N3O4S/c1-5-6-16-33(30,31)26-14-15-28-23(18-27(2)3)24(19-10-8-7-9-11-19)22-17-20(32-4)12-13-21(22)25(28)29/h7-13,17,26H,5-6,14-16,18H2,1-4H3