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

Systemtic Name: methyl 1-(2-methylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isopropylsulfonylamino)methyl]-1-(2-methylpentyl)indole-5-carboxylate CAS Name: 1-(2-methylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isopropylsulfonylamino)methyl]-1-(2-methylpentyl)indole-5-carboxylic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-6-7-15(4)12-22-13-17(11-21-27(24,25)14(2)3)18-10-16(20(23)26-5)8-9-19(18)22/h8-10,13-15,21H,6-7,11-12H2,1-5H3