N-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-2-phenyl-acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c26-21(16-18-8-4-3-5-9-18)23-17-22(27)24-19-10-12-20(13-11-19)30(28,29)25-14-6-1-2-7-15-25/h3-5,8-13H,1-2,6-7,14-17H2,(H,23,26)(H,24,27)