N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-4-sulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-4-sulfonamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-4-pyrazolesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethylpyrazole-4-sulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-4-sulfonamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C=C(C=N1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H22N4O4S2/c1-2-23-15-20(13-21-23)29(25,26)22-18-7-9-19(10-8-18)30(27,28)24-12-11-16-5-3-4-6-17(16)14-24/h3-10,13,15,22H,2,11-12,14H2,1H3