N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-5-morpholinosulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)thio]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-morpholinosulfonyl-N-piperonyl-benzamide Formula: C25H23BrN2O6S2 MolecularWeight: 591.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23BrN2O6S2/c26-18-2-4-19(5-3-18)35-24-8-6-20(36(30,31)28-9-11-32-12-10-28)14-21(24)25(29)27-15-17-1-7-22-23(13-17)34-16-33-22/h1-8,13-14H,9-12,15-16H2,(H,27,29)