7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-indol-2-yl]naphthalene-2-carboximidamide

Systemtic Name: 7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-indol-2-yl]naphthalene-2-carboximidamide Openeye Name: 7-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indol-2-yl]naphthalene-2-carboxamidine CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-indolyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonylindol-2-yl]naphthalene-2-carboximidamide Traditional Name: 7-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indol-2-yl]-2-naphthamidine Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C2=C(C=C(C=C2)OC3CCN(CC3)C(=N)C)C=C1C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CCS(=O)(=O)N1C2=C(C=C(C=C2)OC3CCN(CC3)C(=N)C)C=C1C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C28H31N5O3S/c1-3-37(34,35)33-26-9-8-25(36-24-10-12-32(13-11-24)18(2)29)16-23(26)17-27(33)20-6-4-19-5-7-21(28(30)31)15-22(19)14-20/h4-9,14-17,24,29H,3,10-13H2,1-2H3,(H3,30,31)