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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c27-23(25-15-12-19-8-3-4-9-20(19)18-25)17-24-21-10-7-11-22(16-21)30(28,29)26-13-5-1-2-6-14-26/h3-4,7-11,16,24H,1-2,5-6,12-15,17-18H2