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

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S2/c1-15(31-17-8-6-16(7-9-17)24(26)27)21(25)22-19-14-18(10-11-20(19)30-2)32(28,29)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,25)