2-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)Cl

InChI

InChI=1S/C23H26ClN3O4S/c24-19-10-9-17(14-21(19)32(30,31)26-11-5-1-2-6-12-26)23(29)27-15-18-8-4-3-7-16(18)13-20(27)22(25)28/h3-4,7-10,14,20H,1-2,5-6,11-13,15H2,(H2,25,28)