N-[[(2S,5R)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-2-yl]methyl]isoquinoline-1-sulfonamide

Systemtic Name: N-[[(2S,5R)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-2-yl]methyl]isoquinoline-1-sulfonamide Openeye Name: N-[[(2S,5R)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-2-yl]methyl]isoquinoline-1-sulfonamide CAS Name: N-[[(2S,5R)-5-[(4-chlorophenyl)methoxymethyl]-2-pyrrolidinyl]methyl]-1-isoquinolinesulfonamide IUPAC Name: N-[[(2S,5R)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-2-yl]methyl]isoquinoline-1-sulfonamide Traditional Name: N-[[(2S,5R)-5-[(4-chlorobenzyl)oxymethyl]pyrrolidin-2-yl]methyl]isoquinoline-1-sulfonamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)COCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](N[C@@H]1CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)COCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S/c23-18-7-5-16(6-8-18)14-29-15-20-10-9-19(26-20)13-25-30(27,28)22-21-4-2-1-3-17(21)11-12-24-22/h1-8,11-12,19-20,25-26H,9-10,13-15H2/t19-,20+/m0/s1