N-(2-methoxyethyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(2-methoxyethyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide CAS Name: N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COCCN(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H31N3O4S/c1-33-17-16-29(34(31,32)25-9-5-8-23-19-27-13-10-24(23)25)20-26(30)28-14-11-22(12-15-28)18-21-6-3-2-4-7-21/h2-10,13,19,22H,11-12,14-18,20H2,1H3