N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-thiochroman-4-yl-isonipecotamide Formula: C25H30N4O6S2 MolecularWeight: 546.6589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O6S2/c30-25(26-21-9-16-36-24-4-2-1-3-20(21)24)18-7-10-27(11-8-18)22-6-5-19(17-23(22)29(31)32)37(33,34)28-12-14-35-15-13-28/h1-6,17-18,21H,7-16H2,(H,26,30)