N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,2-diphenyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,2-diphenyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,2-diphenylacetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,2-diphenylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,2-diphenyl-acetamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-33-25-17-16-23(34(31,32)29-18-10-2-3-11-19-29)20-24(25)28-27(30)26(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-17,20,26H,2-3,10-11,18-19H2,1H3,(H,28,30)