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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-phenyl-ethanamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-phenyl-acetamide CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-phenylacetamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-phenylacetamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-phenyl-acetamide Formula: C23H31N3O6S2 MolecularWeight: 509.63874

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)NC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COCCN(CC(=O)NC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O6S2/c1-32-18-17-26(19-23(27)24-20-9-5-4-6-10-20)34(30,31)22-13-11-21(12-14-22)33(28,29)25-15-7-2-3-8-16-25/h4-6,9-14H,2-3,7-8,15-19H2,1H3,(H,24,27)