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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-morpholinosulfonyl-benzamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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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)N5CCOCC5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H31N5O4S/c33-27(21-8-10-24(11-9-21)37(34,35)32-16-18-36-19-17-32)28-23-7-5-6-22(20-23)25-12-13-26(30-29-25)31-14-3-1-2-4-15-31/h5-13,20H,1-4,14-19H2,(H,28,33)