1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-phenylazanylphenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-phenylazanylphenoxy)ethanone Openeye Name: 2-(4-anilinophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-anilinophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-anilinophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-anilinophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O4S/c1-20-8-13-25(18-21(20)2)34(31,32)29-16-14-28(15-17-29)26(30)19-33-24-11-9-23(10-12-24)27-22-6-4-3-5-7-22/h3-13,18,27H,14-17,19H2,1-2H3