azepan-1-yl-[7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5,6-trimethyl-1-benzofuran-2-yl]methanone

Systemtic Name: azepan-1-yl-[7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5,6-trimethyl-1-benzofuran-2-yl]methanone Openeye Name: azepan-1-yl-[7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5,6-trimethyl-benzofuran-2-yl]methanone CAS Name: 1-azepanyl-[7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5,6-trimethyl-2-benzofuranyl]methanone IUPAC Name: azepan-1-yl-[7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5,6-trimethyl-1-benzofuran-2-yl]methanone Traditional Name: azepan-1-yl-[7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5,6-trimethyl-benzofuran-2-yl]methanone Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=C(O2)C(=O)N3CCCCCC3)C)S(=O)(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=C(O2)C(=O)N3CCCCCC3)C)S(=O)(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C27H32N2O4S/c1-18-16-23-20(3)24(27(30)28-13-8-4-5-9-14-28)33-25(23)26(19(18)2)34(31,32)29-15-12-21-10-6-7-11-22(21)17-29/h6-7,10-11,16H,4-5,8-9,12-15,17H2,1-3H3