3-[(4-nitrophenyl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(4-nitrophenyl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-(4-nitroanilino)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-nitroanilino)propyl ester IUPAC Name: 3-(4-nitroanilino)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-nitroanilino)propyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-13-3-9-16(10-4-13)24(21,22)23-12-2-11-17-14-5-7-15(8-6-14)18(19)20/h3-10,17H,2,11-12H2,1H3