4-(azepan-1-ylsulfonyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(4-phenylphenyl)-5-propyl-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]benzamide Formula: C31H33N3O3S2 MolecularWeight: 559.74202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3S2/c1-2-10-28-29(25-15-13-24(14-16-25)23-11-6-5-7-12-23)32-31(38-28)33-30(35)26-17-19-27(20-18-26)39(36,37)34-21-8-3-4-9-22-34/h5-7,11-20H,2-4,8-10,21-22H2,1H3,(H,32,33,35)