N-(4-methoxyphenyl)-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-methoxyphenyl)-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-N-[2-oxo-2-(1-piperidyl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-N-[2-oxo-2-(1-piperidinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)isoquinoline-5-sulfonamide Traditional Name: N-(2-keto-2-piperidino-ethyl)-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H25N3O4S/c1-30-20-10-8-19(9-11-20)26(17-23(27)25-14-3-2-4-15-25)31(28,29)22-7-5-6-18-16-24-13-12-21(18)22/h5-13,16H,2-4,14-15,17H2,1H3