N-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(3-nitrophenyl)isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S/c1-14-11-15(2)20(16(3)12-14)30(28,29)23-9-7-17(8-10-23)21(25)22-18-5-4-6-19(13-18)24(26)27/h4-6,11-13,17H,7-10H2,1-3H3,(H,22,25)