3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H30N2O3S/c27-24(25-18-15-21-7-3-4-8-22(21)19-25)14-11-20-9-12-23(13-10-20)30(28,29)26-16-5-1-2-6-17-26/h3-4,7-10,12-13H,1-2,5-6,11,14-19H2