3-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c25-22(23-18-9-10-20-21(16-18)29-14-6-13-28-20)17-7-5-8-19(15-17)30(26,27)24-11-3-1-2-4-12-24/h5,7-10,15-16H,1-4,6,11-14H2,(H,23,25)