N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)benzyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O4S/c1-14-4-5-15(2)22(14)17-8-6-16(7-9-17)13-21-19-11-10-18(28(3,26)27)12-20(19)23(24)25/h4-12,21H,13H2,1-3H3