5-[(2-propyl-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 5-[(2-propyl-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 5-[(2-propyl-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 5-[(2-propyl-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 5-[(2-propyl-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 5-[(2-propyl-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=CC4=C3CCNC4

Isomeric SMILES

CCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=CC4=C3CCNC4

InChI

InChI=1S/C19H21N3O2S/c1-2-4-19-21-16-8-7-14(11-17(16)22-19)25(23,24)18-6-3-5-13-12-20-10-9-15(13)18/h3,5-8,11,20H,2,4,9-10,12H2,1H3,(H,21,22)