N-methyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(4-isopropylphenyl)methyl]-N-methyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-methyl-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N-[(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(4-isopropylbenzyl)-N-methyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C27H36N4O6S MolecularWeight: 544.66294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O6S/c1-20(2)22-6-4-21(5-7-22)19-28(3)27(32)23-10-12-29(13-11-23)25-9-8-24(18-26(25)31(33)34)38(35,36)30-14-16-37-17-15-30/h4-9,18,20,23H,10-17,19H2,1-3H3