7-[[methylsulfonyl-[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]amino]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[methylsulfonyl-[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]amino]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[N-methylsulfonyl-4-[4-(4-pyridyl)-1,4-diazepan-1-yl]anilino]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[N-methylsulfonyl-4-(4-pyridin-4-yl-1,4-diazepan-1-yl)anilino]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[N-methylsulfonyl-4-(4-pyridin-4-yl-1,4-diazepan-1-yl)anilino]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[N-mesyl-4-[4-(4-pyridyl)-1,4-diazepan-1-yl]anilino]methyl]-2-naphthamidine Formula: C29H32N6O2S MolecularWeight: 528.66838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C29H32N6O2S/c1-38(36,37)35(21-22-3-4-23-5-6-24(29(30)31)20-25(23)19-22)28-9-7-26(8-10-28)33-15-2-16-34(18-17-33)27-11-13-32-14-12-27/h3-14,19-20H,2,15-18,21H2,1H3,(H3,30,31)