2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]indolizine-1-carbonitrile Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H21N5O4S/c1-16-5-6-18(26(27)28)12-21(16)31(29,30)25-10-8-23(9-11-25)14-17-15-24-7-3-2-4-20(24)19(17)13-22/h2-7,12,15H,8-11,14H2,1H3