N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S2/c1-30(27,28)25-12-10-24(11-13-25)16-17-3-2-4-18(15-17)21(26)23-9-14-29-20-7-5-19(22)6-8-20/h2-8,15H,9-14,16H2,1H3,(H,23,26)