4-(2-hexyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(2-hexyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-hexyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-hexyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-hexyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-hexyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H34N4O5S3 MolecularWeight: 674.85256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H34N4O5S3/c1-2-3-4-8-11-33-36-30-22-26(16-19-32(30)45-33)24-12-14-25(15-13-24)34(39)37-46(42,43)28-17-18-29(31(23-28)38(40)41)35-20-21-44-27-9-6-5-7-10-27/h5-7,9-10,12-19,22-23,35H,2-4,8,11,20-21H2,1H3,(H,37,39)