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

Systemtic Name: methyl 1-(2-phenylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isopropylsulfonylamino)methyl]-1-(2-phenylbutyl)indole-5-carboxylate CAS Name: 1-(2-phenylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-phenylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isopropylsulfonylamino)methyl]-1-(2-phenylbutyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4S/c1-5-18(19-9-7-6-8-10-19)15-26-16-21(14-25-31(28,29)17(2)3)22-13-20(24(27)30-4)11-12-23(22)26/h6-13,16-18,25H,5,14-15H2,1-4H3