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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-methylbutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methylbutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-butyramide Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C18H28N2O4S/c1-4-14(2)18(21)19-16-13-15(9-10-17(16)24-3)25(22,23)20-11-7-5-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21)