N-methyl-4-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide

Systemtic Name: N-methyl-4-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide Openeye Name: N-methyl-4-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide CAS Name: N-methyl-4-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide IUPAC Name: N-methyl-4-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide Traditional Name: N-methyl-4-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=NC=N2)N(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-13(14-3-5-15(6-4-14)21-12-18-11-19-21)20(2)27(25,26)17-9-7-16(8-10-17)22(23)24/h3-13H,1-2H3/t13-/m1/s1