N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

InChI

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