5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxy-benzamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4S/c1-19(20-10-12-21(13-11-20)26(2,3)4)27-25(29)23-18-22(14-15-24(23)32-5)33(30,31)28-16-8-6-7-9-17-28/h10-15,18-19H,6-9,16-17H2,1-5H3,(H,27,29)