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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c25-22(23-15-12-18-8-3-4-9-20(18)17-23)19-10-7-11-21(16-19)28(26,27)24-13-5-1-2-6-14-24/h3-4,7-11,16H,1-2,5-6,12-15,17H2