N-[3-[(E)-2-(3-nitrophenyl)ethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]methanesulfonamide

Systemtic Name: N-[3-[(E)-2-(3-nitrophenyl)ethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]methanesulfonamide Openeye Name: N-[3-[(E)-2-(3-nitrophenyl)vinyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]methanesulfonamide CAS Name: N-[3-[(E)-2-(3-nitrophenyl)ethenyl]-6-(1-pyrrolidinyl)-1H-indazol-5-yl]methanesulfonamide IUPAC Name: N-[3-[(E)-2-(3-nitrophenyl)ethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]methanesulfonamide Traditional Name: N-[3-[(E)-2-(3-nitrophenyl)vinyl]-6-pyrrolidino-1H-indazol-5-yl]methanesulfonamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C2C(=C1)C(=NN2)C=CC3=CC(=CC=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C2C(=C1)C(=NN2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C20H21N5O4S/c1-30(28,29)23-19-12-16-17(8-7-14-5-4-6-15(11-14)25(26)27)21-22-18(16)13-20(19)24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,21,22)/b8-7+