4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-2-[(4-tert-butylphenyl)sulfonylamino]benzamide

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-2-[(4-tert-butylphenyl)sulfonylamino]benzamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzamide Traditional Name: 4-amino-5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]-N-piperonyl-benzamide Formula: C25H26BrN3O5S MolecularWeight: 560.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)Br)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)Br)N

InChI

InChI=1S/C25H26BrN3O5S/c1-25(2,3)16-5-7-17(8-6-16)35(31,32)29-21-12-20(27)19(26)11-18(21)24(30)28-13-15-4-9-22-23(10-15)34-14-33-22/h4-12,29H,13-14,27H2,1-3H3,(H,28,30)