3,4-dimethyl-5-nitro-N-[(1S)-1-phenylethyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-5-nitro-N-[(1S)-1-phenylethyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-5-nitro-N-[(1S)-1-phenylethyl]benzenesulfonamide CAS Name: 3,4-dimethyl-5-nitro-N-[(1S)-1-phenylethyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-5-nitro-N-[(1S)-1-phenylethyl]benzenesulfonamide Traditional Name: 3,4-dimethyl-5-nitro-N-[(1S)-1-phenylethyl]benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S/c1-11-9-15(10-16(12(11)2)18(19)20)23(21,22)17-13(3)14-7-5-4-6-8-14/h4-10,13,17H,1-3H3/t13-/m0/s1