N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C21H29N5O7S MolecularWeight: 495.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O7S/c27-20(23-16-1-2-16)14-22-21(28)15-5-7-24(8-6-15)18-4-3-17(13-19(18)26(29)30)34(31,32)25-9-11-33-12-10-25/h3-4,13,15-16H,1-2,5-12,14H2,(H,22,28)(H,23,27)