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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenyl-ethanamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenyl-acetamide CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-p-anisyl-amino]-N-phenyl-acetamide Formula: C28H33N3O6S2 MolecularWeight: 571.70812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C28H33N3O6S2/c1-37-25-13-11-23(12-14-25)21-31(22-28(32)29-24-9-5-4-6-10-24)39(35,36)27-17-15-26(16-18-27)38(33,34)30-19-7-2-3-8-20-30/h4-6,9-18H,2-3,7-8,19-22H2,1H3,(H,29,32)