N-[[(2S,4S)-4-phenylmethoxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[(2S,4S)-4-phenylmethoxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[(2S,4S)-4-benzyloxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[(2S,4S)-4-phenylmethoxy-2-pyrrolidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[(2S,4S)-4-phenylmethoxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[(2S,4S)-4-benzoxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CN[C@@H]1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c25-28(26,21-8-4-7-17-12-22-10-9-20(17)21)24-13-18-11-19(14-23-18)27-15-16-5-2-1-3-6-16/h1-10,12,18-19,23-24H,11,13-15H2/t18-,19-/m0/s1