2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O5S/c26-22(24-18-7-10-20-21(15-18)30-14-13-29-20)16-23-17-5-8-19(9-6-17)31(27,28)25-11-3-1-2-4-12-25/h5-10,15,23H,1-4,11-14,16H2,(H,24,26)