7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-mesyl-anilino]methyl]-2-naphthamidine Formula: C26H31N5O3S MolecularWeight: 493.62104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)C

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C26H31N5O3S/c1-18(27)30-13-11-25(12-14-30)34-24-9-7-23(8-10-24)31(35(2,32)33)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27H,11-14,17H2,1-2H3,(H3,28,29)