2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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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)OCCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O5S/c27-23(25-19-8-11-21-22(16-19)31-15-5-14-30-21)17-24-18-6-9-20(10-7-18)32(28,29)26-12-3-1-2-4-13-26/h6-11,16,24H,1-5,12-15,17H2,(H,25,27)