4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(dimethylamino)-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(dimethylamino)-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(dimethylaminomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(dimethylamino)-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(dimethylamino)-3-phenylsulfanylpropan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(dimethylaminomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C33H41N5O5S2 MolecularWeight: 651.83914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC5(CCCC5)CC4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC5(CCCC5)CC4)[N+](=O)[O-]

InChI

InChI=1S/C33H41N5O5S2/c1-36(2)23-26(24-44-28-8-4-3-5-9-28)34-30-15-14-29(22-31(30)38(40)41)45(42,43)35-32(39)25-10-12-27(13-11-25)37-20-18-33(19-21-37)16-6-7-17-33/h3-5,8-15,22,26,34H,6-7,16-21,23-24H2,1-2H3,(H,35,39)