N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-chloro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-chloro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-chloro-3-piperidinosulfonyl-benzamide Formula: C20H22ClN3O4S2 MolecularWeight: 467.98938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)Cl

InChI

InChI=1S/C20H22ClN3O4S2/c21-15-9-8-14(12-18(15)30(27,28)24-10-4-1-5-11-24)20(26)23-16-6-2-3-7-17(16)29-13-19(22)25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H2,22,25)(H,23,26)