4-[2-[1-methyl-5-[naphthalen-2-ylsulfonyl(pyridin-3-ylmethyl)amino]benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[1-methyl-5-[naphthalen-2-ylsulfonyl(pyridin-3-ylmethyl)amino]benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[1-methyl-5-[2-naphthylsulfonyl(3-pyridylmethyl)amino]benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[1-methyl-5-[2-naphthalenylsulfonyl(3-pyridinylmethyl)amino]-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[1-methyl-5-[naphthalen-2-ylsulfonyl(pyridin-3-ylmethyl)amino]benzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[1-methyl-5-[2-naphthylsulfonyl(3-pyridylmethyl)amino]benzimidazol-2-yl]ethyl]benzamidine Formula: C33H30N6O2S MolecularWeight: 574.6953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)N=C1CCC6=CC=C(C=C6)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)N=C1CCC6=CC=C(C=C6)C(=N)N

InChI

InChI=1S/C33H30N6O2S/c1-38-31-16-14-28(20-30(31)37-32(38)17-10-23-8-11-26(12-9-23)33(34)35)39(22-24-5-4-18-36-21-24)42(40,41)29-15-13-25-6-2-3-7-27(25)19-29/h2-9,11-16,18-21H,10,17,22H2,1H3,(H3,34,35)