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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-chloranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-chlorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-chlorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-benzamide Formula: C25H33ClN2O3S MolecularWeight: 477.05912

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN2O3S/c1-18(19-9-11-20(12-10-19)25(2,3)4)27-24(29)22-17-21(13-14-23(22)26)32(30,31)28-15-7-5-6-8-16-28/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,27,29)