3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindole; N-methyl-1-(4-nitrophenyl)methanamine

Systemtic Name: 3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindole; N-methyl-1-(4-nitrophenyl)methanamine Openeye Name: 3-(chloromethyl)-1-methylsulfonyl-indoline; N-methyl-1-(4-nitrophenyl)methanamine CAS Name: 3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindole; N-methyl-1-(4-nitrophenyl)methanamine IUPAC Name: 3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindole; N-methyl-1-(4-nitrophenyl)methanamine Traditional Name: 3-(chloromethyl)-1-mesyl-indoline; methyl-(4-nitrobenzyl)amine Formula: C18H22ClN3O4S MolecularWeight: 411.90298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)[N+](=O)[O-].CS(=O)(=O)N1CC(C2=CC=CC=C21)CCl

Isomeric SMILES

CNCC1=CC=C(C=C1)[N+](=O)[O-].CS(=O)(=O)N1CC(C2=CC=CC=C21)CCl

InChI

InChI=1S/C10H12ClNO2S.C8H10N2O2/c1-15(13,14)12-7-8(6-11)9-4-2-3-5-10(9)12;1-9-6-7-2-4-8(5-3-7)10(11)12/h2-5,8H,6-7H2,1H3;2-5,9H,6H2,1H3