2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-morpholinosulfonyl-N-(3-pyridylmethyl)benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-(4-morpholinylsulfonyl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-morpholinosulfonyl-N-(3-pyridylmethyl)benzamide Formula: C23H22BrN3O4S2 MolecularWeight: 548.47248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H22BrN3O4S2/c24-18-3-5-19(6-4-18)32-22-8-7-20(33(29,30)27-10-12-31-13-11-27)14-21(22)23(28)26-16-17-2-1-9-25-15-17/h1-9,14-15H,10-13,16H2,(H,26,28)