4-[[(1R)-3-methyl-1-phenyl-butyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(1R)-3-methyl-1-phenyl-butyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(1R)-3-methyl-1-phenyl-butyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(1R)-3-methyl-1-phenylbutyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(1R)-3-methyl-1-phenylbutyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(1R)-3-methyl-1-phenyl-butyl]amino]-3-nitro-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-12(2)10-16(13-6-4-3-5-7-13)19-15-9-8-14(25(18,23)24)11-17(15)20(21)22/h3-9,11-12,16,19H,10H2,1-2H3,(H2,18,23,24)/t16-/m1/s1