N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(phenyl)amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(phenyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(N-methylanilino)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(N-methylanilino)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(N-methylanilino)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(N-methylanilino)acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-24(18-10-6-5-7-11-18)17-22(26)23-20-16-19(12-13-21(20)29-2)30(27,28)25-14-8-3-4-9-15-25/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,23,26)