N-[(1R)-1-(4-bromophenyl)propyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(1R)-1-(4-bromophenyl)propyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(4-bromophenyl)propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-(4-bromophenyl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(1R)-1-(4-bromophenyl)propyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C16H17BrN2O4S MolecularWeight: 413.28618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O4S/c1-3-14(11-4-6-12(17)7-5-11)18-15-9-8-13(24(2,22)23)10-16(15)19(20)21/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1