N'-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboximidamide

Systemtic Name: N'-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboximidamide Openeye Name: N'-[4-[[(1R)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboxamidine CAS Name: N'-[4-[[(2R)-4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-phenyl-1-piperazinecarboximidamide IUPAC Name: N'-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-phenylpiperazine-1-carboximidamide Traditional Name: N'-[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboxamidine Formula: C29H37N7O4S2 MolecularWeight: 611.77858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N=C(N)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)/N=C(\N)/N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H37N7O4S2/c1-33(2)16-15-23(22-41-25-11-7-4-8-12-25)31-27-14-13-26(21-28(27)36(37)38)42(39,40)32-29(30)35-19-17-34(18-20-35)24-9-5-3-6-10-24/h3-14,21,23,31H,15-20,22H2,1-2H3,(H2,30,32)/t23-/m1/s1