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

Systemtic Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]aniline Openeye Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]aniline CAS Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]aniline IUPAC Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amine Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-13(14-4-6-15(7-5-14)22-12-19-11-20-22)21(2)17-9-8-16(28(3,26)27)10-18(17)23(24)25/h4-13H,1-3H3/t13-/m1/s1