(4,6-dimethyl-1H-indol-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4,6-dimethyl-1H-indol-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4,6-dimethyl-1H-indol-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4,6-dimethyl-1H-indol-2-yl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4,6-dimethyl-1H-indol-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4,6-dimethyl-1H-indol-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

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