N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(N2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(N2C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-10-4-7-13(8-14(10)17(18)19)22(20,21)15-9-12-6-5-11(2)16(12)3/h4-8,15H,9H2,1-3H3