N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S2/c1-15-6-11-19(31(28,29)23-12-4-3-5-13-23)14-20(15)22-21(25)16(2)30-18-9-7-17(8-10-18)24(26)27/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,22,25)