N-[(3R)-1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-8-sulfonamide

Systemtic Name: N-[(3R)-1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-3-yl]isoquinoline-8-sulfonamide Openeye Name: N-[(3R)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-8-sulfonamide CAS Name: N-[(3R)-1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-3-pyrrolidinyl]-8-isoquinolinesulfonamide IUPAC Name: N-[(3R)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-8-sulfonamide Traditional Name: N-[(3R)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-8-sulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C2=CC=C(C=C2)OCCCN3CCC(C3)NS(=O)(=O)C4=CC=CC5=C4C=NC=C5

Isomeric SMILES

C1CN(C[C@@H]1NS(=O)(=O)C2=CC=CC3=C2C=NC=C3)CCCOC4=CC=C(C=C4)C(=O)C5CC5

InChI

InChI=1S/C26H29N3O4S/c30-26(20-5-6-20)21-7-9-23(10-8-21)33-16-2-14-29-15-12-22(18-29)28-34(31,32)25-4-1-3-19-11-13-27-17-24(19)25/h1,3-4,7-11,13,17,20,22,28H,2,5-6,12,14-16,18H2/t22-/m1/s1