7-[5-[(1-ethanimidoylpiperidin-4-yl)methoxy]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide

Systemtic Name: 7-[5-[(1-ethanimidoylpiperidin-4-yl)methoxy]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide Openeye Name: 7-[5-[(1-ethanimidoyl-4-piperidyl)methoxy]-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carboxamidine CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]methoxy]-2,3-dihydroindol-2-yl]-2-naphthalenecarboximidamide IUPAC Name: 7-[5-[(1-ethanimidoylpiperidin-4-yl)methoxy]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide Traditional Name: 7-[5-[(1-acetimidoyl-4-piperidyl)methoxy]-1-esyl-indolin-2-yl]-2-naphthamidine Formula: C29H35N5O3S MolecularWeight: 533.6849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OCC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OCC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C29H35N5O3S/c1-3-38(35,36)34-27-9-8-26(37-18-20-10-12-33(13-11-20)19(2)30)16-25(27)17-28(34)22-6-4-21-5-7-23(29(31)32)15-24(21)14-22/h4-9,14-16,20,28,30H,3,10-13,17-18H2,1-2H3,(H3,31,32)