N-(3-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(3-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(3-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-(3-nitrophenyl)-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(3-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(3-nitrophenyl)-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c25-21(22-19-11-4-12-20(15-19)24(26)27)18-10-5-13-23(16-18)30(28,29)14-6-9-17-7-2-1-3-8-17/h1-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,(H,22,25)