[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-3-methyl-2-benzofuranyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-3-methyl-benzofuran-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N2O4S/c1-18-22-16-21(32(29,30)27-13-6-2-3-7-14-27)10-11-23(22)31-24(18)25(28)26-15-12-19-8-4-5-9-20(19)17-26/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3