1-[4-[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-1,4-diazepan-1-yl]ethanone Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C23H26ClN3O4S/c1-17(28)25-10-4-11-26(14-13-25)23(29)21-15-20(7-8-22(21)24)32(30,31)27-12-9-18-5-2-3-6-19(18)16-27/h2-3,5-8,15H,4,9-14,16H2,1H3