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

Systemtic Name: 2-chloranyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(4-isopropoxyphenyl)methyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(4-isopropoxybenzyl)-5-thiomorpholinosulfonyl-benzamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-15(2)28-17-5-3-16(4-6-17)14-23-21(25)19-13-18(7-8-20(19)22)30(26,27)24-9-11-29-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)