2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-cyclohexyl-amino]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-cyclohexyl-amino]-N-phenyl-ethanamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-cyclohexyl-amino]-N-phenyl-acetamide CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]sulfonyl-cyclohexylamino]-N-phenylacetamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-cyclohexylamino]-N-phenylacetamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-cyclohexyl-amino]-N-phenyl-acetamide Formula: C26H35N3O5S2 MolecularWeight: 533.7032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC(=O)NC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC(=O)NC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H35N3O5S2/c30-26(27-22-11-5-3-6-12-22)21-29(23-13-7-4-8-14-23)36(33,34)25-17-15-24(16-18-25)35(31,32)28-19-9-1-2-10-20-28/h3,5-6,11-12,15-18,23H,1-2,4,7-10,13-14,19-21H2,(H,27,30)