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

Systemtic Name: 2-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-1-methyl-indole-5-carboximidamide Openeye Name: 2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]-1-methyl-indole-5-carboxamidine CAS Name: 2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]-1-methyl-5-indolecarboximidamide IUPAC Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]-1-methylindole-5-carboximidamide Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-mesyl-anilino]methyl]-1-methyl-indole-5-carboxamidine Formula: C25H32N6O3S MolecularWeight: 496.62498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC4=C(N3C)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(N3C)C=CC(=C4)C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-7-5-20(6-8-22)31(35(3,32)33)16-21-15-19-14-18(25(27)28)4-9-24(19)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28)