4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide

Systemtic Name: 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide Openeye Name: 4-phenoxy-N-[3-[4-(2-quinolylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide CAS Name: 4-phenoxy-N-[3-[4-(2-quinolinylmethyl)-1-piperazinyl]-2-pyrazinyl]benzenesulfonamide IUPAC Name: 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide Traditional Name: 4-phenoxy-N-[3-[4-(2-quinolylmethyl)piperazino]pyrazin-2-yl]benzenesulfonamide Formula: C30H28N6O3S MolecularWeight: 552.64672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)C4=NC=CN=C4NS(=O)(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)C4=NC=CN=C4NS(=O)(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C30H28N6O3S/c37-40(38,27-14-12-26(13-15-27)39-25-7-2-1-3-8-25)34-29-30(32-17-16-31-29)36-20-18-35(19-21-36)22-24-11-10-23-6-4-5-9-28(23)33-24/h1-17H,18-22H2,(H,31,34)