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

Systemtic Name: 2-chloranyl-N-[2-[methyl-(phenylmethyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-[benzyl(methyl)amino]ethyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[2-[methyl-(phenylmethyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[2-[benzyl(methyl)amino]ethyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[benzyl(methyl)amino]ethyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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