4-(8-azaspiro[4.4]nonan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(8-azaspiro[4.4]nonan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(8-azaspiro[4.4]nonan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(8-azaspiro[4.4]nonan-8-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(8-azaspiro[4.4]nonan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(8-azaspiro[4.4]nonan-8-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H32N4O5S2 MolecularWeight: 580.71818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CCN(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

C1CCC2(C1)CCN(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/C29H32N4O5S2/c34-28(22-8-10-23(11-9-22)32-18-16-29(21-32)14-4-5-15-29)31-40(37,38)25-12-13-26(27(20-25)33(35)36)30-17-19-39-24-6-2-1-3-7-24/h1-3,6-13,20,30H,4-5,14-19,21H2,(H,31,34)