(1-methylindol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-methylindol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-methylindol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-methyl-3-indolyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-methylindol-3-yl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-methylindol-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

InChI

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