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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3S/c23-20-10-9-18(15-21(20)29(27,28)25-12-5-1-2-6-13-25)22(26)24-14-11-17-7-3-4-8-19(17)16-24/h3-4,7-10,15H,1-2,5-6,11-14,16H2