2-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-1-benzothiophene-5-carboximidamide

Systemtic Name: 2-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-1-benzothiophene-5-carboximidamide Openeye Name: 2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]benzothiophene-5-carboxamidine CAS Name: 2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]-1-benzothiophene-5-carboximidamide IUPAC Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]-1-benzothiophene-5-carboximidamide Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-mesyl-anilino]methyl]benzothiophene-5-carboxamidine Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC4=C(S3)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(S3)C=CC(=C4)C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C24H29N5O3S2/c1-16(25)28-11-9-21(10-12-28)32-20-6-4-19(5-7-20)29(34(2,30)31)15-22-14-18-13-17(24(26)27)3-8-23(18)33-22/h3-8,13-14,21,25H,9-12,15H2,1-2H3,(H3,26,27)