4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]butyramide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C24H31N3O5S2/c1-17-14-18(2)24(19(3)15-17)25-23(28)8-7-13-33-22-10-9-20(16-21(22)27(29)30)34(31,32)26-11-5-4-6-12-26/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,25,28)