4-[(3S)-3-methylpiperidin-1-yl]-N-(3-methylsulfanylphenyl)-3-nitro-benzamide

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]-N-(3-methylsulfanylphenyl)-3-nitro-benzamide Openeye Name: 4-[(3S)-3-methyl-1-piperidyl]-N-(3-methylsulfanylphenyl)-3-nitro-benzamide CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-N-[3-(methylthio)phenyl]-3-nitrobenzamide IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]-N-(3-methylsulfanylphenyl)-3-nitrobenzamide Traditional Name: 4-[(3S)-3-methylpiperidino]-N-[3-(methylthio)phenyl]-3-nitro-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-14-5-4-10-22(13-14)18-9-8-15(11-19(18)23(25)26)20(24)21-16-6-3-7-17(12-16)27-2/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3,(H,21,24)/t14-/m0/s1