N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C24H27N5O6S2 MolecularWeight: 545.63108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O6S2/c1-16-3-2-4-21-22(16)25-24(36-21)26-23(30)17-7-9-27(10-8-17)19-6-5-18(15-20(19)29(31)32)37(33,34)28-11-13-35-14-12-28/h2-6,15,17H,7-14H2,1H3,(H,25,26,30)