methyl 1-(2,4-dimethylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(2,4-dimethylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-(2,4-dimethylpentyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-(2,4-dimethylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dimethylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2,4-dimethylpentyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-14(2)9-16(5)12-23-13-18(11-22-28(25,26)15(3)4)19-10-17(21(24)27-6)7-8-20(19)23/h7-8,10,13-16,22H,9,11-12H2,1-6H3