4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[5-(dimethylamino)-1-phenylsulfanyl-pentan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[5-(dimethylamino)-1-phenylsulfanyl-pentan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[4-(dimethylamino)-1-(phenylsulfanylmethyl)butyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[5-(dimethylamino)-1-(phenylthio)pentan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[5-(dimethylamino)-1-phenylsulfanylpentan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(8-azaspiro[4.5]decan-8-yl)-N-[4-[[4-(dimethylamino)-1-[(phenylthio)methyl]butyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C35H45N5O5S2 MolecularWeight: 679.8923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(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)CCCC(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/C35H45N5O5S2/c1-38(2)22-8-9-28(26-46-30-10-4-3-5-11-30)36-32-17-16-31(25-33(32)40(42)43)47(44,45)37-34(41)27-12-14-29(15-13-27)39-23-20-35(21-24-39)18-6-7-19-35/h3-5,10-17,25,28,36H,6-9,18-24,26H2,1-2H3,(H,37,41)