N-(2-tert-butylphenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylphenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(2-tert-butylphenyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(2-tert-butylphenyl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(2-tert-butylphenyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C26H34N4O6S MolecularWeight: 530.63636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O6S/c1-26(2,3)21-6-4-5-7-22(21)27-25(31)19-10-12-28(13-11-19)23-9-8-20(18-24(23)30(32)33)37(34,35)29-14-16-36-17-15-29/h4-9,18-19H,10-17H2,1-3H3,(H,27,31)