(2,3-dimethyl-1H-indol-5-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S/c1-14-15(2)22-18-8-7-16(13-17(14)18)21(26)23-9-11-24(12-10-23)31(29,30)20-6-4-3-5-19(20)25(27)28/h3-8,13,22H,9-12H2,1-2H3