4-(8-azaspiro[4.5]decan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H34N4O5S2 MolecularWeight: 594.74476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CCN(CC2)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(CC2)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/C30H34N4O5S2/c35-29(23-8-10-24(11-9-23)33-19-16-30(17-20-33)14-4-5-15-30)32-41(38,39)26-12-13-27(28(22-26)34(36)37)31-18-21-40-25-6-2-1-3-7-25/h1-3,6-13,22,31H,4-5,14-21H2,(H,32,35)