N-(3-nitrophenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-nitrophenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(3-nitrophenyl)isonipecotamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c22-18(19-15-5-4-6-16(13-15)21(23)24)14-9-11-20(12-10-14)27(25,26)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,19,22)