N-[(3S)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]pyrrolidin-3-yl]quinoline-8-sulfonamide

Systemtic Name: N-[(3S)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]pyrrolidin-3-yl]quinoline-8-sulfonamide Openeye Name: N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]quinoline-8-sulfonamide CAS Name: N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-pyrrolidinyl]-8-quinolinesulfonamide IUPAC Name: N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]quinoline-8-sulfonamide Traditional Name: N-[(3S)-1-[3-(2-hydroxyethoxy)benzyl]pyrrolidin-3-yl]quinoline-8-sulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=CC(=CC=C4)OCCO

Isomeric SMILES

C1CN(C[C@H]1NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=CC(=CC=C4)OCCO

InChI

InChI=1S/C22H25N3O4S/c26-12-13-29-20-7-1-4-17(14-20)15-25-11-9-19(16-25)24-30(27,28)21-8-2-5-18-6-3-10-23-22(18)21/h1-8,10,14,19,24,26H,9,11-13,15-16H2/t19-/m0/s1