N-[3-[3-[2-(2-methylphenyl)ethanoyl]-7-nitro-indol-1-yl]propyl]methanesulfonamide

Systemtic Name: N-[3-[3-[2-(2-methylphenyl)ethanoyl]-7-nitro-indol-1-yl]propyl]methanesulfonamide Openeye Name: N-[3-[7-nitro-3-[2-(o-tolyl)acetyl]indol-1-yl]propyl]methanesulfonamide CAS Name: N-[3-[3-[2-(2-methylphenyl)-1-oxoethyl]-7-nitro-1-indolyl]propyl]methanesulfonamide IUPAC Name: N-[3-[3-[2-(2-methylphenyl)acetyl]-7-nitroindol-1-yl]propyl]methanesulfonamide Traditional Name: N-[3-[7-nitro-3-[2-(o-tolyl)acetyl]indol-1-yl]propyl]methanesulfonamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)C2=CN(C3=C2C=CC=C3[N+](=O)[O-])CCCNS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)C2=CN(C3=C2C=CC=C3[N+](=O)[O-])CCCNS(=O)(=O)C

InChI

InChI=1S/C21H23N3O5S/c1-15-7-3-4-8-16(15)13-20(25)18-14-23(12-6-11-22-30(2,28)29)21-17(18)9-5-10-19(21)24(26)27/h3-5,7-10,14,22H,6,11-13H2,1-2H3