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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-methyl-benzamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC(C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC(C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H36N2O3S/c1-19-10-15-23(32(30,31)28-16-8-6-7-9-17-28)18-24(19)25(29)27-20(2)21-11-13-22(14-12-21)26(3,4)5/h10-15,18,20H,6-9,16-17H2,1-5H3,(H,27,29)