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

Systemtic Name: 7-[[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]-methylsulfonyl-amino]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-N-methylsulfonyl-anilino]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]-N-methylsulfonylanilino]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-N-methylsulfonylanilino]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[4-(4-acetimidoyl-1,4-diazepan-1-yl)-N-mesyl-anilino]methyl]-2-naphthamidine Formula: C26H32N6O2S MolecularWeight: 492.63628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)C

Isomeric SMILES

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C26H32N6O2S/c1-19(27)30-12-3-13-31(15-14-30)24-8-10-25(11-9-24)32(35(2,33)34)18-20-4-5-21-6-7-22(26(28)29)17-23(21)16-20/h4-11,16-17,27H,3,12-15,18H2,1-2H3,(H3,28,29)