2-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]-N,N-diethyl-benzamide

Systemtic Name: 2-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]-N,N-diethyl-benzamide Openeye Name: 2-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]-N,N-diethyl-benzamide CAS Name: 2-[[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonylamino]-N,N-diethylbenzamide IUPAC Name: 2-[[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylamino]-N,N-diethylbenzamide Traditional Name: 2-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]-N,N-diethyl-benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O5S/c1-4-27(5-2)24(29)20-12-8-9-13-22(20)26-34(31,32)19-14-15-23(33-3)21(18-19)25(30)28-16-10-6-7-11-17-28/h8-9,12-15,18,26H,4-7,10-11,16-17H2,1-3H3