N-(2,4-dimethylphenyl)-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[3-(1-imidazolyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(3-imidazol-1-ylpropylamino)-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O4S/c1-15-4-6-18(16(2)12-15)23-30(28,29)17-5-7-19(20(13-17)25(26)27)22-8-3-10-24-11-9-21-14-24/h4-7,9,11-14,22-23H,3,8,10H2,1-2H3