N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide

Systemtic Name: N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Openeye Name: N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide CAS Name: N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-3-pyrrolidinyl]-7-isoquinolinesulfonamide IUPAC Name: N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Traditional Name: N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NS(=O)(=O)C2=CC3=C(C=C2)C=CN=C3)CCCOC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(C[C@@H]1NS(=O)(=O)C2=CC3=C(C=C2)C=CN=C3)CCCOC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H28N4O3S/c30-19-22-2-4-23(5-3-22)24-6-9-28(10-7-24)36-17-1-15-33-16-13-27(21-33)32-37(34,35)29-11-8-25-12-14-31-20-26(25)18-29/h2-12,14,18,20,27,32H,1,13,15-17,21H2/t27-/m1/s1