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

Systemtic Name: N-(4-methoxyphenyl)-N-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)isoquinoline-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinoline-5-sulfonamide Traditional Name: N-(2-keto-2-pyrrolidino-ethyl)-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23N3O4S/c1-29-19-9-7-18(8-10-19)25(16-22(26)24-13-2-3-14-24)30(27,28)21-6-4-5-17-15-23-12-11-20(17)21/h4-12,15H,2-3,13-14,16H2,1H3