N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H21N5O4S/c27-15-3-17-31(18-4-16-28)36(33,34)22-13-9-19(10-14-22)25(32)29-21-11-7-20(8-12-21)26-30-23-5-1-2-6-24(23)35-26/h1-2,5-14H,3-4,17-18H2,(H,29,32)