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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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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)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H31N5O3S/c33-27(21-10-12-24(13-11-21)36(34,35)32-18-5-6-19-32)28-23-9-7-8-22(20-23)25-14-15-26(30-29-25)31-16-3-1-2-4-17-31/h7-15,20H,1-6,16-19H2,(H,28,33)