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

Systemtic Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(4-methylpiperazin-1-yl)-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-[(4-methylpiperazin-1-yl)methyl]-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(4-methyl-1-piperazinyl)-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[1-[(4-methylpiperazino)methyl]-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C36H46N6O5S2 MolecularWeight: 706.91764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCC6(CCCC6)CC5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCC6(CCCC6)CC5)[N+](=O)[O-]

InChI

InChI=1S/C36H46N6O5S2/c1-39-21-23-40(24-22-39)26-29(27-48-31-7-3-2-4-8-31)37-33-14-13-32(25-34(33)42(44)45)49(46,47)38-35(43)28-9-11-30(12-10-28)41-19-17-36(18-20-41)15-5-6-16-36/h2-4,7-14,25,29,37H,5-6,15-24,26-27H2,1H3,(H,38,43)