methyl 1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isopropylsulfonylamino)methyl]-1-(2-isopropylsulfonyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 1-(4-methyl-2-propan-2-ylsulfonylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-2-propan-2-ylsulfonylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isopropylsulfonylamino)methyl]-1-(2-isopropylsulfonyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C23H36N2O6S2 MolecularWeight: 500.67174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H36N2O6S2/c1-15(2)10-20(32(27,28)16(3)4)14-25-13-19(12-24-33(29,30)17(5)6)21-11-18(23(26)31-7)8-9-22(21)25/h8-9,11,13,15-17,20,24H,10,12,14H2,1-7H3