N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylamino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylamino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylamino]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylamino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylamino]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(p-anisylamino)acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-29-20-10-6-18(7-11-20)16-23-17-22(26)24-19-8-12-21(13-9-19)30(27,28)25-14-4-2-3-5-15-25/h6-13,23H,2-5,14-17H2,1H3,(H,24,26)