N-(cyclopropylmethyl)-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(cyclopropylmethyl)-1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: N-(cyclopropylmethyl)-1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(cyclopropylmethyl)-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: N-(cyclopropylmethyl)-1-(2-nitro-4-piperidinosulfonyl-phenyl)isonipecotamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)NCC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)NCC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5S/c26-21(22-15-16-4-5-16)17-8-12-23(13-9-17)19-7-6-18(14-20(19)25(27)28)31(29,30)24-10-2-1-3-11-24/h6-7,14,16-17H,1-5,8-13,15H2,(H,22,26)