3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzamide Traditional Name: N-[4-(4-tert-amylphenoxy)phenyl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide Formula: C30H35ClN2O4S MolecularWeight: 555.1279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C30H35ClN2O4S/c1-4-30(2,3)23-10-14-25(15-11-23)37-26-16-12-24(13-17-26)32-29(34)22-9-18-27(31)28(21-22)38(35,36)33-19-7-5-6-8-20-33/h9-18,21H,4-8,19-20H2,1-3H3,(H,32,34)