4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-14-12-16(15(2)23(14)17-6-4-3-5-7-17)10-11-22-19-9-8-18(29(21,27)28)13-20(19)24(25)26/h3-9,12-13,22H,10-11H2,1-2H3,(H2,21,27,28)