N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-tetralin-5-yl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-tetralin-5-yl-benzamide Formula: C31H29N3O5S2 MolecularWeight: 587.70906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C=CC=C2C1)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C=CC=C2C1)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/C31H29N3O5S2/c35-31(24-15-13-23(14-16-24)28-12-6-8-22-7-4-5-11-27(22)28)33-41(38,39)26-17-18-29(30(21-26)34(36)37)32-19-20-40-25-9-2-1-3-10-25/h1-3,6,8-10,12-18,21,32H,4-5,7,11,19-20H2,(H,33,35)