2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)benzamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O5S2/c1-29-17-10-9-15(13-19(17)31(27,28)24-11-5-2-6-12-24)23-21(26)16-7-3-4-8-18(16)30-14-20(22)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H2,22,25)(H,23,26)