3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[(1R)-1-methyl-3-phenyl-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide IUPAC Name: 3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[(1R)-1-methyl-3-phenyl-propyl]amino]-3-nitro-benzenesulfonamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-12(7-8-13-5-3-2-4-6-13)18-15-10-9-14(24(17,22)23)11-16(15)19(20)21/h2-6,9-12,18H,7-8H2,1H3,(H2,17,22,23)/t12-/m1/s1