N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-chloranyl-thiophene-2-sulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-chloranyl-thiophene-2-sulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-chloro-thiophene-2-sulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-chloro-2-thiophenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-chlorothiophene-2-sulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-chloro-thiophene-2-sulfonamide Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H21ClN4O2S2/c21-18-9-11-20(28-18)29(26,27)24-16-7-5-6-15(14-16)17-8-10-19(23-22-17)25-12-3-1-2-4-13-25/h5-11,14,24H,1-4,12-13H2