2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c25-21(23-17-8-9-19-20(13-17)29-15-28-19)14-22-16-6-5-7-18(12-16)30(26,27)24-10-3-1-2-4-11-24/h5-9,12-13,22H,1-4,10-11,14-15H2,(H,23,25)