N-[[(2S,4S)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[(2S,4S)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[(2S,4S)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[(2S,4S)-4-[(4-chlorophenyl)methoxy]-2-pyrrolidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[(2S,4S)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[(2S,4S)-4-(4-chlorobenzyl)oxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1