3-(azepan-1-ylsulfonyl)-N-(4-tert-butylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-tert-butylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-tert-butylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-tert-butylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-tert-butylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-tert-butylphenyl)benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-23(2,3)19-11-13-20(14-12-19)24-22(26)18-9-8-10-21(17-18)29(27,28)25-15-6-4-5-7-16-25/h8-14,17H,4-7,15-16H2,1-3H3,(H,24,26)