5-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]thiophene-2-carbaldehyde

Systemtic Name: 5-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]thiophene-2-carbaldehyde Openeye Name: 5-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]thiophene-2-carbaldehyde CAS Name: 5-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]thiophene-2-carbaldehyde Traditional Name: 5-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]thiophene-2-carbaldehyde Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(S3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(S3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S2/c1-12-2-4-14(10-15(12)19(21)22)26(23,24)18-8-6-17(7-9-18)16-5-3-13(11-20)25-16/h2-5,10-11H,6-9H2,1H3