N-methyl-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-3-13(14-7-5-4-6-8-14)12-19-16-10-9-15(25(23,24)18-2)11-17(16)20(21)22/h4-11,13,18-19H,3,12H2,1-2H3/t13-/m1/s1