N-[4-[(1-acetamido-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-[(1-acetamido-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-[[1-(acetamidomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-[[1-acetamido-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-[(1-acetamido-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[[1-(acetamidomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C30H27FN4O6S2 MolecularWeight: 622.686983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C30H27FN4O6S2/c1-20(36)32-18-25(19-42-26-5-3-2-4-6-26)33-28-16-15-27(17-29(28)35(38)39)43(40,41)34-30(37)23-9-7-21(8-10-23)22-11-13-24(31)14-12-22/h2-17,25,33H,18-19H2,1H3,(H,32,36)(H,34,37)