N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-piperidyl]benzamide CAS Name: N-[1-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[(4-nitrophenyl)thio]propanoyl]-4-piperidyl]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-15(29-19-9-7-18(8-10-19)24(27)28)21(26)23-13-11-17(12-14-23)22-20(25)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,22,25)