[3-azanyl-5-[3-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl]pyrazol-4-ylidene]methylideneazanide

Systemtic Name: [3-azanyl-5-[3-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl]pyrazol-4-ylidene]methylideneazanide Openeye Name: [3-amino-5-[3-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoyl]amino]propyl]pyrazol-4-ylidene]methyleneazanide CAS Name: [3-amino-5-[3-[[[5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl]-4-pyrazolylidene]methylideneazanide IUPAC Name: [3-amino-5-[3-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]propyl]pyrazol-4-ylidene]methylideneazanide Traditional Name: [3-amino-5-[3-[[5-(dimethylsulfamoyl)-2-pyrrolidino-benzoyl]amino]propyl]pyrazol-4-ylidene]methyleneazanide Formula: C20H26N7O3S- MolecularWeight: 444.53054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCCCC3=NN=C(C3=C=[N-])N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCCCC3=NN=C(C3=C=[N-])N

InChI

InChI=1S/C20H26N7O3S/c1-26(2)31(29,30)14-7-8-18(27-10-3-4-11-27)15(12-14)20(28)23-9-5-6-17-16(13-21)19(22)25-24-17/h7-8,12H,3-6,9-11H2,1-2H3,(H2,22,25)(H,23,28)/q-1