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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-nonyl-1,3-benzothiazol-5-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-nonyl-1,3-benzothiazol-5-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-nonyl-1,3-benzothiazol-5-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-nonyl-1,3-benzothiazol-5-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-nonyl-1,3-benzothiazol-5-yl)benzamide Formula: C37H40N4O5S3 MolecularWeight: 716.9323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=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

CCCCCCCCCC1=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/C37H40N4O5S3/c1-2-3-4-5-6-7-11-14-36-39-33-25-29(19-22-35(33)48-36)27-15-17-28(18-16-27)37(42)40-49(45,46)31-20-21-32(34(26-31)41(43)44)38-23-24-47-30-12-9-8-10-13-30/h8-10,12-13,15-22,25-26,38H,2-7,11,14,23-24H2,1H3,(H,40,42)