2-chloranyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-[methyl-(phenylmethyl)amino]propyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O3S2/c1-25(17-18-6-3-2-4-7-18)11-5-10-24-22(27)20-16-19(8-9-21(20)23)31(28,29)26-12-14-30-15-13-26/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,24,27)