N-[(4-butoxyphenyl)methyl]-2-chloranyl-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(4-butoxyphenyl)methyl]-2-chloranyl-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(4-butoxyphenyl)methyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide CAS Name: N-[(4-butoxyphenyl)methyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-(4-butoxybenzyl)-2-chloro-5-thiomorpholinosulfonyl-benzamide Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C22H27ClN2O4S2/c1-2-3-12-29-18-6-4-17(5-7-18)16-24-22(26)20-15-19(8-9-21(20)23)31(27,28)25-10-13-30-14-11-25/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,26)