1-[(3-bromophenyl)methylsulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)isonipecotamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-14-18(6-3-7-19(14)24(26)27)22-20(25)16-8-10-23(11-9-16)30(28,29)13-15-4-2-5-17(21)12-15/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)