N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-3-iodo-4-methyl-benzamide CAS Name: N-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-3-iodo-4-methylbenzamide Traditional Name: N-[4-(4-benzhydrylpiperazino)sulfonylphenyl]-3-iodo-4-methyl-benzamide Formula: C31H30IN3O3S MolecularWeight: 651.55767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)I

InChI

InChI=1S/C31H30IN3O3S/c1-23-12-13-26(22-29(23)32)31(36)33-27-14-16-28(17-15-27)39(37,38)35-20-18-34(19-21-35)30(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-17,22,30H,18-21H2,1H3,(H,33,36)