N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-15-13-17(16(2)23(15)18-7-5-4-6-8-18)11-12-22-20-10-9-19(29(3,27)28)14-21(20)24(25)26/h4-10,13-14,22H,11-12H2,1-3H3