[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl methanesulfonate

Systemtic Name: [7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl methanesulfonate Openeye Name: [7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-indolin-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl ester IUPAC Name: [7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4,6-dimethyl-5-nitro-7-(pivaloylamino)-1-propyl-indolin-2-yl]methyl ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)[N+](=O)[O-])C)COS(=O)(=O)C

Isomeric SMILES

CCCN1C(CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)[N+](=O)[O-])C)COS(=O)(=O)C

InChI

InChI=1S/C20H31N3O6S/c1-8-9-22-14(11-29-30(7,27)28)10-15-12(2)17(23(25)26)13(3)16(18(15)22)21-19(24)20(4,5)6/h14H,8-11H2,1-7H3,(H,21,24)