N-[(S)-cyclopropyl(phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C2CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@@H](C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4S/c1-12-7-10-15(19(20)21)11-16(12)24(22,23)18-17(14-8-9-14)13-5-3-2-4-6-13/h2-7,10-11,14,17-18H,8-9H2,1H3/t17-/m1/s1