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

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

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