N-(1H-indazol-7-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1H-indazol-7-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1H-indazol-7-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1H-indazol-7-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1H-indazol-7-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1H-indazol-7-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC4=C3NN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC4=C3NN=C4

InChI

InChI=1S/C20H21N5O5S/c1-13-5-6-16(25(27)28)11-18(13)31(29,30)24-9-7-14(8-10-24)20(26)22-17-4-2-3-15-12-21-23-19(15)17/h2-6,11-12,14H,7-10H2,1H3,(H,21,23)(H,22,26)