methyl 1-(2-methylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(2-methylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isopropylsulfonylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylate CAS Name: 1-(2-methylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isopropylsulfonylamino)methyl]-1-(2-methylbutyl)indole-5-carboxylic acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-6-14(4)11-21-12-16(10-20-26(23,24)13(2)3)17-9-15(19(22)25-5)7-8-18(17)21/h7-9,12-14,20H,6,10-11H2,1-5H3