N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-(4-methylpiperidino)sulfonyl-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H25N3O4S2/c1-15-10-12-24(13-11-15)30(27,28)17-8-6-16(7-9-17)21(26)23-18-4-2-3-5-19(18)29-14-20(22)25/h2-9,15H,10-14H2,1H3,(H2,22,25)(H,23,26)