N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H31N3O6S/c1-16(2)22(17-5-6-20-21(13-17)32-10-4-9-31-20)24-23(27)19-14-18(15-25(19)3)33(28,29)26-7-11-30-12-8-26/h5-6,13-16,22H,4,7-12H2,1-3H3,(H,24,27)/t22-/m0/s1