N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,3,5-trimethyl-benzenesulfonamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,3,5-trimethyl-benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,3,5-trimethyl-benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methoxy-2,3,5-trimethylbenzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,3,5-trimethylbenzenesulfonamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,3,5-trimethyl-benzenesulfonamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-18-17-24(19(2)20(3)26(18)33-4)34(31,32)29-22-11-9-21(10-12-22)23-13-14-25(28-27-23)30-15-7-5-6-8-16-30/h9-14,17,29H,5-8,15-16H2,1-4H3