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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SCC(=O)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SCC(=O)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-15-9-10-16(13-19(15)30(27,28)24-11-5-2-6-12-24)21(26)23-17-7-3-4-8-18(17)29-14-20(22)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H2,22,25)(H,23,26)