N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H23N3O3S/c1-20(14-18(22)21-11-4-2-3-5-12-21)25(23,24)17-8-6-7-15-13-19-10-9-16(15)17/h6-10,13H,2-5,11-12,14H2,1H3