1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-4-carboxamide Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-4-carboxamide CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidine-4-carboxamide Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]isonipecotamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c19-18(23)14-7-11-20(12-8-14)16-6-5-15(13-17(16)22(24)25)28(26,27)21-9-3-1-2-4-10-21/h5-6,13-14H,1-4,7-12H2,(H2,19,23)