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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[1-(4-tert-butylphenyl)ethyl]-4-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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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