N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-piperidinosulfonyl-benzamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H33N5O3S/c34-28(22-11-13-25(14-12-22)37(35,36)33-19-6-3-7-20-33)29-24-10-8-9-23(21-24)26-15-16-27(31-30-26)32-17-4-1-2-5-18-32/h8-16,21H,1-7,17-20H2,(H,29,34)