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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 4-(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=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c25-22(23-18-8-11-20-21(16-18)29-15-5-14-28-20)17-6-9-19(10-7-17)30(26,27)24-12-3-1-2-4-13-24/h6-11,16H,1-5,12-15H2,(H,23,25)