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

Systemtic Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)isoquinoline-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H31N3O4S/c1-37-27-12-10-26(11-13-27)33(38(35,36)29-9-5-8-25-21-31-17-14-28(25)29)22-30(34)32-18-15-24(16-19-32)20-23-6-3-2-4-7-23/h2-14,17,21,24H,15-16,18-20,22H2,1H3