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

Systemtic Name: N-[4-[(1-morpholin-4-yl-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(1-pentylpyrazol-4-yl)benzamide Openeye Name: N-[4-[[1-(morpholinomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(1-pentylpyrazol-4-yl)benzamide CAS Name: N-[4-[[1-(4-morpholinyl)-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(1-pentyl-4-pyrazolyl)benzamide IUPAC Name: N-[4-[(1-morpholin-4-yl-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(1-pentylpyrazol-4-yl)benzamide Traditional Name: 4-(1-amylpyrazol-4-yl)-N-[4-[[1-(morpholinomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C34H40N6O6S2 MolecularWeight: 692.848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CN4CCOCC4)CSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CN4CCOCC4)CSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H40N6O6S2/c1-2-3-7-16-39-23-28(22-35-39)26-10-12-27(13-11-26)34(41)37-48(44,45)31-14-15-32(33(21-31)40(42)43)36-29(24-38-17-19-46-20-18-38)25-47-30-8-5-4-6-9-30/h4-6,8-15,21-23,29,36H,2-3,7,16-20,24-25H2,1H3,(H,37,41)