4-[3-(cyclohexylmethyl)-2-oxidanylidene-1,3-benzoxazol-6-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[3-(cyclohexylmethyl)-2-oxidanylidene-1,3-benzoxazol-6-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[3-(cyclohexylmethyl)-2-oxo-1,3-benzoxazol-6-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[3-(cyclohexylmethyl)-2-oxo-1,3-benzoxazol-6-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[3-(cyclohexylmethyl)-2-oxo-1,3-benzoxazol-6-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[3-(cyclohexylmethyl)-2-keto-1,3-benzoxazol-6-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H34N4O7S2 MolecularWeight: 686.79706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C35H34N4O7S2/c40-34(37-48(44,45)29-16-17-30(32(22-29)39(42)43)36-19-20-47-28-9-5-2-6-10-28)26-13-11-25(12-14-26)27-15-18-31-33(21-27)46-35(41)38(31)23-24-7-3-1-4-8-24/h2,5-6,9-18,21-22,24,36H,1,3-4,7-8,19-20,23H2,(H,37,40)