(2S)-N-cyclohexyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]amino]-N-methyl-propanamide

Systemtic Name: (2S)-N-cyclohexyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]amino]-N-methyl-propanamide Openeye Name: (2S)-N-cyclohexyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]-N-methyl-propanamide CAS Name: (2S)-N-cyclohexyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]-N-methylpropanamide IUPAC Name: (2S)-N-cyclohexyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]-N-methylpropanamide Traditional Name: (2S)-N-cyclohexyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)anilino]-N-methyl-propionamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)N(C)C1CCCCC1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H33N3O5S/c1-18(25(29)28(2)21-7-4-3-5-8-21)26-19-9-11-20(12-10-19)27-34(30,31)22-13-14-23-24(17-22)33-16-6-15-32-23/h9-14,17-18,21,26-27H,3-8,15-16H2,1-2H3/t18-/m0/s1