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

Systemtic Name: N-methyl-3-nitro-4-[[(2S)-2-phenylpropyl]amino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[[(2S)-2-phenylpropyl]amino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[(2S)-2-phenylpropyl]amino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[[(2S)-2-phenylpropyl]amino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[[(2S)-2-phenylpropyl]amino]benzenesulfonamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-12(13-6-4-3-5-7-13)11-18-15-9-8-14(24(22,23)17-2)10-16(15)19(20)21/h3-10,12,17-18H,11H2,1-2H3/t12-/m1/s1