2-(4-chlorophenyl)sulfanyl-5-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(1-propylsulfonyl-4-piperidyl)benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-(1-propylsulfonyl-4-piperidinyl)benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-(1-propylsulfonyl-4-piperidyl)benzamide Formula: C21H24ClN3O5S2 MolecularWeight: 498.01536

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O5S2/c1-2-13-32(29,30)24-11-9-16(10-12-24)23-21(26)19-14-17(25(27)28)5-8-20(19)31-18-6-3-15(22)4-7-18/h3-8,14,16H,2,9-13H2,1H3,(H,23,26)