3-(chloromethyl)-6-methyl-1-methylsulfonyl-2,3-dihydroindole; (4-nitrophenyl)methanamine

Systemtic Name: 3-(chloromethyl)-6-methyl-1-methylsulfonyl-2,3-dihydroindole; (4-nitrophenyl)methanamine Openeye Name: 3-(chloromethyl)-6-methyl-1-methylsulfonyl-indoline; (4-nitrophenyl)methanamine CAS Name: 3-(chloromethyl)-6-methyl-1-methylsulfonyl-2,3-dihydroindole; (4-nitrophenyl)methanamine IUPAC Name: 3-(chloromethyl)-6-methyl-1-methylsulfonyl-2,3-dihydroindole; (4-nitrophenyl)methanamine Traditional Name: 3-(chloromethyl)-1-mesyl-6-methyl-indoline; (4-nitrobenzyl)amine Formula: C18H22ClN3O4S MolecularWeight: 411.90298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)CCl.C1=CC(=CC=C1CN)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)CCl.C1=CC(=CC=C1CN)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClNO2S.C7H8N2O2/c1-8-3-4-10-9(6-12)7-13(11(10)5-8)16(2,14)15;8-5-6-1-3-7(4-2-6)9(10)11/h3-5,9H,6-7H2,1-2H3;1-4H,5,8H2