5-bromanyl-N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-2-hexoxy-benzamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-N-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-2-hexoxybenzamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[4-(4-benzhydrylpiperazino)sulfonylphenyl]-5-bromo-2-hexoxy-benzamide Formula: C36H40BrN3O4S MolecularWeight: 690.6895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H40BrN3O4S/c1-2-3-4-11-26-44-34-21-16-30(37)27-33(34)36(41)38-31-17-19-32(20-18-31)45(42,43)40-24-22-39(23-25-40)35(28-12-7-5-8-13-28)29-14-9-6-10-15-29/h5-10,12-21,27,35H,2-4,11,22-26H2,1H3,(H,38,41)