N-[(3R)-1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[(3R)-1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-5-sulfonamide Openeye Name: N-[(3R)-1-[3-(4-acetylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-5-sulfonamide CAS Name: N-[(3R)-1-[3-(4-acetylphenoxy)propyl]-3-pyrrolidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-[(3R)-1-[3-(4-acetylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-5-sulfonamide Traditional Name: N-[(3R)-1-[3-(4-acetylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-5-sulfonamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCN2CCC(C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCN2CC[C@H](C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H27N3O4S/c1-18(28)19-6-8-22(9-7-19)31-15-3-13-27-14-11-21(17-27)26-32(29,30)24-5-2-4-20-16-25-12-10-23(20)24/h2,4-10,12,16,21,26H,3,11,13-15,17H2,1H3/t21-/m1/s1