3-(azepan-1-ylsulfonyl)-N-(5-tert-butyl-2-methoxy-phenyl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-tert-butyl-2-methoxy-phenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-tert-butyl-2-methoxy-phenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(5-tert-butyl-2-methoxyphenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-tert-butyl-2-methoxyphenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5-tert-butyl-2-methoxy-phenyl)-4-methoxy-benzamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H34N2O5S/c1-25(2,3)19-11-13-21(31-4)20(17-19)26-24(28)18-10-12-22(32-5)23(16-18)33(29,30)27-14-8-6-7-9-15-27/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,26,28)