azepan-1-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azepan-1-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[2-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[2-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCCCC4

InChI

InChI=1S/C21H27N3O4S/c1-15-20(16(2)28-22-15)29(26,27)24-14-18-10-6-5-9-17(18)13-19(24)21(25)23-11-7-3-4-8-12-23/h5-6,9-10,19H,3-4,7-8,11-14H2,1-2H3