N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)OC

InChI

InChI=1S/C20H28N4O5S/c1-27-17-8-7-16(13-18(17)28-2)30(25,26)23-9-12-29-20-14-19(21-15-22-20)24-10-5-3-4-6-11-24/h7-8,13-15,23H,3-6,9-12H2,1-2H3