1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H30N4O4S/c1-2-29-23-8-7-21(34(31,32)28-13-15-33-16-14-28)17-22(23)26-24(29)9-10-25(30)27-12-11-19-5-3-4-6-20(19)18-27/h3-8,17H,2,9-16,18H2,1H3